Crystallography Open Database

Information card for entry 4312176

Preview

Coordinates	4312176.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H45 B11 F N P2
Calculated formula	C43 H45 B11 F N P2
Title of publication	Preparation of 1-p-Halophenyl and 1-p-Biphenylyl Substituted Monocarbadodecaborate Anions [closo-1-Ar-CB11H11]- by Insertion of Arylhalocarbenes into [nido-B11H14]-
Authors of publication	Stefanie Körbe; Damian B. Sowers; Andreas Franken; Josef Michl
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	8158 - 8161
a	10.721 ± 0.002 Å
b	12.646 ± 0.003 Å
c	15.917 ± 0.006 Å
α	76.45 ± 0.02°
β	86.77 ± 0.02°
γ	88.17 ± 0.02°
Cell volume	2094.2 ± 1 Å³
Cell temperature	135 ± 2 K
Ambient diffraction temperature	135 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0584
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for significantly intense reflections	0.1217
Weighted residual factors for all reflections included in the refinement	0.1321
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179160 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/21.	4312176.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4312176.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4312176.cif
3681	2010-11-16	../uploads/cif-deposit/cod/cif Adding structures of 4312176 via cif-deposit CGI script.	4312176.cif