Crystallography Open Database

Information card for entry 7118153

Preview

Coordinates	7118153.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H43 F6 N P2 Re
Calculated formula	C50 H43 F6 N P2 Re
SMILES	[Re](F)(F)(F)(F)([F-])[F-].c1([P+](c2ccccc2)(c2ccccc2)c2ccccc2)ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.N#CC
Title of publication	One-dimensional coordination polymers of [Co3(dpa)4]^2+^ and [MF6]^2-^ (M = ReIV, ZrIV and SnIV)
Authors of publication	Vladimir Bulicanu; Kasper S. Pedersen; Mathieu Rouzieres; Jesper Bendix; Pierre Dechambenoit; Rodolphe Clerac; Elizabeth A. Hillard
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	17748
a	9.9941 ± 0.0003 Å
b	10.9876 ± 0.0004 Å
c	21.1474 ± 0.0007 Å
α	104.686 ± 0.001°
β	92.005 ± 0.001°
γ	106.919 ± 0.001°
Cell volume	2134.23 ± 0.12 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0205
Residual factor for significantly intense reflections	0.019
Weighted residual factors for significantly intense reflections	0.0439
Weighted residual factors for all reflections included in the refinement	0.0461
Goodness-of-fit parameter for all reflections included in the refinement	1.0544
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
171417 (current)	2015-12-10	cif/ Adding structures of 7118150, 7118151, 7118152, 7118153 via cif-deposit CGI script.	7118153.cif