Crystallography Open Database

Information card for entry 4337128

Preview

Coordinates	4337128.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H30 Co2 O7 Rh2
Calculated formula	C27 H30 Co2 O7 Rh2
SMILES	[c]12([c]3([c]4([c]5([c]1(C)[Rh]16782345C2([Co]347(C#[O])(C#[O])C(=O)[Co]563(C#[O])(C#[O])[C]1(=O)[Rh]13678245[c]2([c]7([c]6([c]3([c]12C)C)C)C)C)[O])C)C)C)C
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	14.3777 ± 0.0003 Å
b	12.2507 ± 0.0002 Å
c	16.3481 ± 0.0003 Å
α	90°
β	93.622 ± 0.001°
γ	90°
Cell volume	2873.75 ± 0.09 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0215
Residual factor for significantly intense reflections	0.0208
Weighted residual factors for significantly intense reflections	0.0492
Weighted residual factors for all reflections included in the refinement	0.0496
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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.	4337128.cif
106175	2014-03-15	cif/ Adding structures of 4337127, 4337128, 4337129 via cif-deposit CGI script.	4337128.cif