Crystallography Open Database

Information card for entry 4308617

Preview

Coordinates	4308617.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H5 K
Calculated formula	C5 H5 K
SMILES	[K+].[c-]1cccc1
Title of publication	Effect of Crystal Packing on the Structures of Polymeric Metallocenes
Authors of publication	Robert E. Dinnebier; Sander van Smaalen; Falk Olbrich; Stefan Carlson
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	964 - 968
a	9.25 ± 0.0009 Å
b	9.25 Å
c	9.8543 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	843.16 ± 0.17 Å³
Number of distinct elements	3
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
RFsqd	0.27543
Goodness-of-fit parameter for all reflections	0.61
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.431329 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179124 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/86.	4308617.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4308617.cif
88064	2013-08-29	Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet.	4308617.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308617.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4308617.cif