Crystallography Open Database

Information card for entry 7100263

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Coordinates	7100263.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H94 N4 Na2 O6 Si2
Calculated formula	C50 H94 N4 Na2 O6 Si2
SMILES	[Na]1([O]([Si]2(N(c3c(N2CC(C)(C)C)cccc3)CC(C)(C)C)[Na]([O]([Si]21N(c1c(N2CC(C)(C)C)cccc1)CC(C)(C)C)C)([O]1CCCC1)[O](CC)CC)C)([O]1CCCC1)[O](CC)CC
Title of publication	Crystalline Na-Si(NN) derivatives [Si(NN) = Si{(NCH2tBu)2C6H4-1,2}]: the silylenoid [Si(NN)OMe]-, the dianion [(NN)Si-Si(NN)]2-, and the radical anion c-[Si(NN)]3-.
Authors of publication	Barbara Gehrhus; Floria Antolini; P. B. Hitchcock; M. Lappert
Journal of publication	Chemical Communications
Year of publication	2005
a	12.0924 ± 0.0004 Å
b	11.3065 ± 0.0005 Å
c	21.7705 ± 0.0008 Å
α	90°
β	102.275 ± 0.002°
γ	90°
Cell volume	2908.47 ± 0.19 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301853 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/10/ Each referenced PubChem compound corresponds to the full crystal structure.	7100263.cif
180104	2016-03-26	cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/02.	7100263.cif
120677	2014-07-23	cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot.	7100263.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7100263.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	7100263.cif
853	2009-11-16	cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion.	7100263.cif
19	2008-01-26	Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif \| xargs perl -i -pe 's/\r\n/\n/'	7100263.cif
14	2008-01-13	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	7100263.cif
13	2008-01-13	Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory.	7100263.cif
1	2007-11-30	Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29)	7100263.cif