Crystallography Open Database

Information card for entry 7048523

Preview

Coordinates	7048523.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H32 Cl4 N2 P2 Pd
Calculated formula	C31 H32 Cl4 N2 P2 Pd
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	36.962 ± 0.004 Å
b	10.229 ± 0.0011 Å
c	16.7982 ± 0.0018 Å
α	90°
β	99.294 ± 0.005°
γ	90°
Cell volume	6267.8 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	6
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	0.0403
Residual factor for significantly intense reflections	0.0324
Weighted residual factors for significantly intense reflections	0.0766
Weighted residual factors for all reflections included in the refinement	0.0803
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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.	7048523.cif
212958	2019-01-11	cif/ Adding structures of 7048523, 7048524, 7048525, 7048526 via cif-deposit CGI script.	7048523.cif