Crystallography Open Database

Information card for entry 4347363

Preview

Coordinates	4347363.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H39 B9 Ir2
Calculated formula	C20 H39 B9 Ir2
SMILES	[c]12([c]3([c]4([c]5([c]1(C)[Ir]16782345[BH]23[BH]451[BH]196[BH]6%104[BH]4%111[BH]16[BH]6%124[BH]72([BH]89%116)[Ir]246735%101%12[c]1([c]2([c]4([c]6([c]71C)C)C)C)C)C)C)C)C
Title of publication	Hypoelectronic 8-11-Vertex Irida- and Rhodaboranes.
Authors of publication	Roy, Dipak Kumar; Borthakur, Rosmita; Prakash, Rini; Bhattacharya, Somnath; Jagan, Rajamony; Ghosh, Sundargopal
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	10
Pages of publication	4764 - 4770
a	8.5307 ± 0.0004 Å
b	14.5958 ± 0.0006 Å
c	21.0227 ± 0.0009 Å
α	90°
β	100.675 ± 0.002°
γ	90°
Cell volume	2572.3 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0535
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for significantly intense reflections	0.0824
Weighted residual factors for all reflections included in the refinement	0.0886
Goodness-of-fit parameter for all reflections included in the refinement	1.1
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
232286 (current)	2019-11-23	cif/ Adding structures of 4347357, 4347358, 4347359, 4347360, 4347361, 4347362, 4347363, 4347364 via cif-deposit CGI script.	4347363.cif