Crystallography Open Database

Information card for entry 1545107

Preview

Coordinates	1545107.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H38 B10 Ir2 O2
Calculated formula	C20 H38 B10 Ir2 O2
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	16.6847 ± 0.0006 Å
b	14.6954 ± 0.0006 Å
c	10.9866 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2693.79 ± 0.18 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0477
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0858
Weighted residual factors for all reflections included in the refinement	0.0962
Goodness-of-fit parameter for all reflections included in the refinement	1.137
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
193458 (current)	2017-03-04	cif/ Updating files of 1545104, 1545105, 1545106, 1545107, 1545108 Original log message: Adding full bibliography for 1545104--1545108.cif.	1545107.cif
190788	2017-01-21	cif/ Adding structures of 1545104, 1545105, 1545106, 1545107, 1545108 via cif-deposit CGI script.	1545107.cif