Crystallography Open Database

Information card for entry 7036790

Preview

Coordinates	7036790.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H24 Br0.27 Cl2.73 N5 O2
Calculated formula	C14 H24 Br0.2715 Cl2.7285 N5 O2
Title of publication	Rhenium complexes of bidentate, bis-bidentate and tridentate N-heterocyclic carbene ligands.
Authors of publication	Chan, Chung Ying; Barnard, Peter J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	44
Pages of publication	19126 - 19140
a	10.5678 ± 0.0005 Å
b	18.0774 ± 0.0009 Å
c	10.1355 ± 0.0005 Å
α	90°
β	106.809 ± 0.005°
γ	90°
Cell volume	1853.54 ± 0.16 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 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	0.0365
Residual factor for significantly intense reflections	0.0289
Weighted residual factors for significantly intense reflections	0.0739
Weighted residual factors for all reflections included in the refinement	0.0779
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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
171207 (current)	2015-12-09	cif/ Updating files of 7036787, 7036788, 7036789, 7036790, 7036791, 7036792, 7036793, 7036794 Original log message: Adding full bibliography for 7036787--7036794.cif.	7036790.cif
160982	2015-10-08	cif/ Adding structures of 7036787, 7036788, 7036789, 7036790, 7036791, 7036792, 7036793, 7036794 via cif-deposit CGI script.	7036790.cif