Crystallography Open Database

Information card for entry 4109276

Preview

Coordinates	4109276.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H30 Cl2 Ni P2
Calculated formula	C30 H30 Cl2 Ni P2
SMILES	CC(C)(C1=C[P]([Ni]([P]1(c1ccccc1)c1ccccc1)(Cl)Cl)(c1ccccc1)c1ccccc1)C
Title of publication	Copper-Catalyzed anti-Hydrophosphination Reaction of 1-Alkynylphosphines with Diphenylphosphine Providing (Z)-1,2-Diphosphino-1-alkenes
Authors of publication	Azusa Kondoh; Hideki Yorimitsu; Koichiro Oshima
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	4099 - 4104
a	11.6193 ± 0.0007 Å
b	15.4796 ± 0.0009 Å
c	16.0015 ± 0.0009 Å
α	90°
β	103.608 ± 0.001°
γ	90°
Cell volume	2797.3 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0388
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.1016
Weighted residual factors for all reflections included in the refinement	0.1074
Goodness-of-fit parameter for all reflections included in the refinement	0.682
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
178838 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/92.	4109276.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109276.cif
58040	2012-05-23	cif/ Adding structures of 4109276 via cif-deposit CGI script.	4109276.cif