Crystallography Open Database

Information card for entry 7048524

Preview

Coordinates	7048524.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H33 Cl2 N2 Ni O1.5 P2
Calculated formula	C30 H33 Cl2 N2 Ni O1.5 P2
Title of publication	Facile synthesis of Pd(ii) and Ni(ii) pincer carbene complexes by the double C-H bond activation of a new hexahydropyrimidine-based bis(phosphine): catalysis of C-N couplings.
Authors of publication	Subramaniyan, Vasudevan; Dutta, Bidisa; Govindaraj, Anbarasu; Mani, Ganesan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	21
Pages of publication	7203 - 7210
a	28.845 ± 0.003 Å
b	9.0434 ± 0.001 Å
c	23.141 ± 0.003 Å
α	90°
β	101.366 ± 0.003°
γ	90°
Cell volume	5918.1 ± 1.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0464
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0862
Weighted residual factors for all reflections included in the refinement	0.0936
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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
224456 (current)	2019-11-08	cif/ Updating files of 7048523, 7048524, 7048525, 7048526 Original log message: Adding full bibliography for 7048523--7048526.cif.	7048524.cif
212958	2019-01-11	cif/ Adding structures of 7048523, 7048524, 7048525, 7048526 via cif-deposit CGI script.	7048524.cif