Crystallography Open Database

Information card for entry 7704842

Preview

Coordinates	7704842.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H32 Cl6 Ni P2
Calculated formula	C26 H32 Cl6 Ni P2
SMILES	[Ni]1(Cl)(Cl)[P](c2c([P]1(c1ccccc1)c1ccccc1)cccc2)(C(C)C)C(C)C.ClCCl.ClCCl
Title of publication	Study and modular synthesis of unsymmetrical bis(phosphino)pyrrole ligands.
Authors of publication	Fokwa, Hilary D.; Vidlak, Julia F.; Weinberg, Sophie C.; Duplessis, Isaiah D.; Schley, Nathan D.; Johnson, Miles W.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	29
Pages of publication	9957 - 9960
a	8.43393 ± 0.00015 Å
b	10.5673 ± 0.0002 Å
c	17.8435 ± 0.0004 Å
α	83.8079 ± 0.0017°
β	86.3096 ± 0.0016°
γ	73.1764 ± 0.0018°
Cell volume	1512.42 ± 0.05 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 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	0.0255
Residual factor for significantly intense reflections	0.0249
Weighted residual factors for significantly intense reflections	0.0633
Weighted residual factors for all reflections included in the refinement	0.0637
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation probe	x-ray
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
254948 (current)	2020-08-06	cif/ Updating files of 7704840, 7704841, 7704842, 7704843, 7704844, 7704845 Original log message: Adding full bibliography for 7704840--7704845.cif.	7704842.cif
254298	2020-07-15	cif/ Adding structures of 7704840, 7704841, 7704842, 7704843, 7704844, 7704845 via cif-deposit CGI script.	7704842.cif