Crystallography Open Database

Information card for entry 4311015

Preview

Coordinates	4311015.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H32 B18 Cl2 Ni2
Calculated formula	C13 H32 B18 Cl2 Ni2
Title of publication	Synthesis, Structure and Dynamics of Nickelacarboranes Incorporating the [nido-7,9-C~2~B~9~H~11~]^2-^ Ligand
Authors of publication	Bruce E. Hodson; Thomas D. McGrath; F. Gordon A. Stone
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	3090 - 3097
a	13.433 ± 0.003 Å
b	14.69 ± 0.004 Å
c	13.076 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2580.3 ± 1.1 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0525
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.0801
Weighted residual factors for all reflections included in the refinement	0.083
Goodness-of-fit parameter for all reflections included in the refinement	0.947
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
179149 (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 4/31/10.	4311015.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311015.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311015.cif
2507	2010-11-10	../uploads/cif-deposit/cod/cif Adding structures of 4311015 via cif-deposit CGI script.	4311015.cif