Crystallography Open Database

Information card for entry 1540560

Preview

Coordinates	1540560.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64.5 H54 Cl8 I3 O2 Os P3
Calculated formula	C64.5 H54 Cl8 I3 O2 Os P3
Title of publication	Halogenation of carbyne complexes: isolation of unsaturated metallaiodirenium ion and metallabromirenium ion
Authors of publication	Luo, Ming; Zhu, Congqing; Chen, Lina; Zhang, Hong; Xia, Haiping
Journal of publication	Chem. Sci.
Year of publication	2016
Journal volume	7
Journal issue	3
Pages of publication	1815
a	12.9311 ± 0.0005 Å
b	22.2426 ± 0.0007 Å
c	23.2785 ± 0.0008 Å
α	90°
β	102.771 ± 0.004°
γ	90°
Cell volume	6529.8 ± 0.4 Å³
Cell temperature	143 ± 2 K
Ambient diffraction temperature	143 ± 2 K
Number of distinct elements	7
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	0.0518
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.103
Weighted residual factors for all reflections included in the refinement	0.1074
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
177721 (current)	2016-03-05	cif/ Updating files of 1540560, 1540561 Original log message: Adding full bibliography for 1540560--1540561.cif.	1540560.cif
170485	2015-11-24	cif/ Adding structures of 1540560, 1540561 via cif-deposit CGI script.	1540560.cif