Crystallography Open Database

Information card for entry 4337129

Preview

Coordinates	4337129.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H38 B6 Co2
Calculated formula	C20 H38 B6 Co2
SMILES	[BH]123[BH]456[BH]1([Co]1789%106([BH]6%114[BH]41[BH]6([Co]16%12%1325%11[c]2([c]%13([c]%12([c]6([c]12C)C)C)C)C)[H]4)[c]1([c]7([c]8([c]9([c]%101C)C)C)C)C)[H]3
Title of publication	A Novel Heterometallic μ9-Boride Cluster: Synthesis and Structural Characterization of [(η(5)-C5Me5Rh)2{Co6(CO)12}(μ-H)(BH)B].
Authors of publication	Roy, Dipak Kumar; Barik, Subrat Kumar; Mondal, Bijan; Varghese, Babu; Ghosh, Sundargopal
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	2
Pages of publication	667 - 669
a	8.2502 ± 0.0005 Å
b	10.8875 ± 0.0007 Å
c	14.7638 ± 0.001 Å
α	70.007 ± 0.002°
β	77.884 ± 0.002°
γ	73.479 ± 0.002°
Cell volume	1185.39 ± 0.13 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.047
Residual factor for significantly intense reflections	0.0319
Weighted residual factors for significantly intense reflections	0.0812
Weighted residual factors for all reflections included in the refinement	0.093
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179474 (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 4/33/71.	4337129.cif
106175	2014-03-15	cif/ Adding structures of 4337127, 4337128, 4337129 via cif-deposit CGI script.	4337129.cif