Crystallography Open Database

Information card for entry 4331653

Preview

Coordinates	4331653.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H38 B9 Cl N O P2 Rh S
Calculated formula	C14 H30.5978 B9 Cl N O0.75 P2 Rh S
Title of publication	Reactions of 11-Vertex Rhodathiaboranes with HCl: Synthesis and Reactivity of New Cl-Ligated Clusters
Authors of publication	Beatriz Calvo; Ramón Macías; Maria Jose Artigas; Fernando J. Lahoz; Luis A. Oro
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	211 - 221
a	24.184 ± 0.005 Å
b	15.085 ± 0.003 Å
c	14.588 ± 0.003 Å
α	90°
β	93.002 ± 0.003°
γ	90°
Cell volume	5314.6 ± 1.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	9
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0276
Residual factor for significantly intense reflections	0.0258
Weighted residual factors for significantly intense reflections	0.0677
Weighted residual factors for all reflections included in the refinement	0.0685
Goodness-of-fit parameter for all reflections included in the refinement	1.13
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
179419 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/16.	4331653.cif
97776	2014-01-29	cif/ Adding structures of 4331653 via cif-deposit CGI script.	4331653.cif