Crystallography Open Database

Information card for entry 4348757

Preview

Coordinates	4348757.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Ni-muc-bpaa
Formula	C18 H20 N2 Ni O8
Calculated formula	C18 H20 N2 Ni O8
Title of publication	Construction of 3-Fold-Interpenetrated Three-Dimensional Metal-Organic Frameworks of Nickel(II) for Highly Efficient Capture and Conversion of Carbon Dioxide.
Authors of publication	Ugale, Bharat; Dhankhar, Sandeep Singh; Nagaraja, C. M.
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	19
Pages of publication	9757 - 9766
a	35.4247 ± 0.0012 Å
b	13.9402 ± 0.0004 Å
c	9.4516 ± 0.0003 Å
α	90°
β	101.693 ± 0.001°
γ	90°
Cell volume	4570.6 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
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	0.0783
Residual factor for significantly intense reflections	0.0643
Weighted residual factors for significantly intense reflections	0.2209
Weighted residual factors for all reflections included in the refinement	0.2346
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
233316 (current)	2019-11-23	cif/ Adding structures of 4348757, 4348758, 4348759 via cif-deposit CGI script.	4348757.cif