Crystallography Open Database

Information card for entry 7112335

Preview

Coordinates	7112335.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H56 B2 F24 Fe N2 O2
Calculated formula	C67 H56 B2 F24 Fe N2 O2
Title of publication	Coordinative trapping of the boron β-diketiminato system [B(NMesCMe)2CH] via metal-templated synthesis
Authors of publication	Firinci, Erkan; Bates, Joshua I.; Riddlestone, Ian M.; Phillips, Nicholas; Aldridge, Simon
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2013
Journal volume	49
Journal issue	15
Pages of publication	1509 - 1511
a	12.1918 ± 0.0003 Å
b	16.3393 ± 0.0004 Å
c	17.0192 ± 0.0005 Å
α	87.9149 ± 0.0009°
β	87.6232 ± 0.0009°
γ	78.9774 ± 0.001°
Cell volume	3323.51 ± 0.15 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1026
Residual factor for significantly intense reflections	0.0714
Weighted residual factors for all reflections	0.1827
Weighted residual factors for significantly intense reflections	0.1546
Weighted residual factors for all reflections included in the refinement	0.1827
Goodness-of-fit parameter for all reflections included in the refinement	0.8912
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7108848
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
210727 (current)	2018-09-10	cif/7/ Updating bibliography in entries 7108846-7108848, 7112333-7112335. Marking entries 7112333-7112335 as duplicates of entries 7108846-7108848.	7112335.cif
176453	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7112335.cif
110024	2014-04-18	cif/ Adding structures of 7112333, 7112334, 7112335 via cif-deposit CGI script.	7112335.cif