Crystallography Open Database

Information card for entry 7055638

Preview

Coordinates	7055638.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H57 Br2 N3 Ni O5
Calculated formula	C37 H57 Br2 N3 Ni O5
Title of publication	Nickel(ii) complexes chelated by 2,6-pyridinedicarboxamide: syntheses, characterization, and ethylene oligomerization
Authors of publication	Zhang, Jie; Liu, Shaofeng; Li, Antai; Ye, Hongqi; Li, Zhibo
Journal of publication	New J. Chem.
Year of publication	2016
Journal volume	40
Journal issue	8
Pages of publication	7027
a	14.859 ± 0.003 Å
b	16.766 ± 0.004 Å
c	16.883 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	4206 ± 1.6 Å³
Cell temperature	173.15 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0551
Residual factor for significantly intense reflections	0.0483
Weighted residual factors for significantly intense reflections	0.0909
Weighted residual factors for all reflections included in the refinement	0.0954
Goodness-of-fit parameter for all reflections included in the refinement	1.118
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
185611 (current)	2016-08-07	cif/ Updating files of 7055637, 7055638 Original log message: Adding full bibliography for 7055637--7055638.cif.	7055638.cif
183526	2016-06-16	cif/ Adding structures of 7055637, 7055638 via cif-deposit CGI script.	7055638.cif