Crystallography Open Database

Information card for entry 4124751

Preview

Coordinates	4124751.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H31 N Ni2 O13
Calculated formula	C33 H31 N Ni2 O13
Title of publication	Metal-Organic Polymers Containing Discrete Single-Walled Nanotube as a Heterogeneous Catalyst for the Cycloaddition of Carbon Dioxide to Epoxides.
Authors of publication	Zhou, Zhen; He, Cheng; Xiu, Jinghai; Yang, Lu; Duan, Chunying
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	48
Pages of publication	15066 - 15069
a	27.593 ± 0.003 Å
b	27.593 ± 0.003 Å
c	13.6745 ± 0.0017 Å
α	90°
β	90°
γ	120°
Cell volume	9016.5 ± 1.8 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 2 K
Number of distinct elements	5
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.1477
Residual factor for significantly intense reflections	0.0729
Weighted residual factors for significantly intense reflections	0.144
Weighted residual factors for all reflections included in the refinement	0.1548
Goodness-of-fit parameter for all reflections included in the refinement	0.953
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
173579 (current)	2016-01-06	cif/ Updating files of 4124750, 4124751, 4124752 Original log message: Adding full bibliography for 4124750--4124752.cif.	4124751.cif
170519	2015-11-25	cif/ Adding structures of 4124751 via cif-deposit CGI script.	4124751.cif