Crystallography Open Database

Information card for entry 1545104

Preview

Coordinates	1545104.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20.33 H40.67 B6 Cl0.67 Ir2
Calculated formula	C20.3333 H32.6667 B6 Cl0.666667 Ir2
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	12.7437 ± 0.0007 Å
b	15.8667 ± 0.0007 Å
c	21.9272 ± 0.0009 Å
α	74.729 ± 0.002°
β	86.099 ± 0.002°
γ	68.806 ± 0.003°
Cell volume	3986 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1091
Residual factor for significantly intense reflections	0.0534
Weighted residual factors for significantly intense reflections	0.1057
Weighted residual factors for all reflections included in the refinement	0.1307
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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.	1545104.cif
190788	2017-01-21	cif/ Adding structures of 1545104, 1545105, 1545106, 1545107, 1545108 via cif-deposit CGI script.	1545104.cif