Crystallography Open Database

Information card for entry 1545108

Preview

Coordinates	1545108.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H54 Au B6 Co2 P
Calculated formula	C38 H54 Au B6 Co2 P
SMILES	[c]12([c]3([c]4([c]5([c]1(C)[CoH]1672345[BH]234[BH]58([BH]12[H]8)[Co]1289%10%114([c]4([c]1([c]2([c]8([c]94C)C)C)C)C)[BH]12([BH]63%10[BH]71[H]2)[Au]5%11[P](c1ccccc1)(c1ccccc1)c1ccccc1)C)C)C)C
Title of publication	Synthesis, Chemistry, and Electronic Structures of Group 9 Metallaboranes.
Authors of publication	Borthakur, Rosmita; Kar, Sourav; Barik, Subrat Kumar; Bhattacharya, Somnath; Kundu, Gargi; Varghese, Babu; Ghosh, Sundargopal
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	3
Pages of publication	1524 - 1533
a	19.911 ± 0.005 Å
b	12.631 ± 0.002 Å
c	17.268 ± 0.004 Å
α	90°
β	103.586 ± 0.007°
γ	90°
Cell volume	4221.3 ± 1.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0692
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0676
Weighted residual factors for all reflections included in the refinement	0.0757
Goodness-of-fit parameter for all reflections included in the refinement	0.916
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
193458 (current)	2017-03-04	cif/ Updating files of 1545104, 1545105, 1545106, 1545107, 1545108 Original log message: Adding full bibliography for 1545104--1545108.cif.	1545108.cif
190788	2017-01-21	cif/ Adding structures of 1545104, 1545105, 1545106, 1545107, 1545108 via cif-deposit CGI script.	1545108.cif