Crystallography Open Database

Information card for entry 7700480

Preview

Coordinates	7700480.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H18 Cl N3 Ni O
Calculated formula	C24 H18 Cl N3 Ni O
Title of publication	Tridentate diarylamido-based pincer complexes of nickel and palladium: sidearm effects in the polymerization of norbornene.
Authors of publication	You, Fen; Liu, Hui; Luo, Gen; Shi, Xiaochao
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	32
Pages of publication	12219 - 12227
a	9.18 ± 0.003 Å
b	9.941 ± 0.003 Å
c	11.212 ± 0.004 Å
α	90°
β	102.531 ± 0.003°
γ	90°
Cell volume	998.8 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0221
Residual factor for significantly intense reflections	0.0207
Weighted residual factors for significantly intense reflections	0.0496
Weighted residual factors for all reflections included in the refinement	0.0504
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
223922 (current)	2019-11-07	cif/ Updating files of 7700479, 7700480, 7700481 Original log message: Adding full bibliography for 7700479--7700481.cif.	7700480.cif
216852	2019-07-09	cif/ Adding structures of 7700479, 7700480, 7700481 via cif-deposit CGI script.	7700480.cif