Crystallography Open Database

Information card for entry 7036787

Preview

Coordinates	7036787.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	6.Cl4
Formula	C26 H40 Cl4 N8 O3
Calculated formula	C26 H40 Cl4 N8 O3
SMILES	n1(C(n2c[n+](cc2)C)c2ccc(cc2)C(n2cc[n+](c2)C)n2cc[n+](c2)C)c[n+](cc1)C.CO.CO.[Cl-].[Cl-].[Cl-].[Cl-].O
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	9.8817 ± 0.0003 Å
b	12.7702 ± 0.0006 Å
c	13.4397 ± 0.0005 Å
α	107.655 ± 0.004°
β	95.924 ± 0.003°
γ	92.5 ± 0.003°
Cell volume	1602.43 ± 0.11 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 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	0.0494
Residual factor for significantly intense reflections	0.0451
Weighted residual factors for significantly intense reflections	0.1281
Weighted residual factors for all reflections included in the refinement	0.1321
Goodness-of-fit parameter for all reflections included in the refinement	1.098
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	7036787.cif
160982	2015-10-08	cif/ Adding structures of 7036787, 7036788, 7036789, 7036790, 7036791, 7036792, 7036793, 7036794 via cif-deposit CGI script.	7036787.cif