Crystallography Open Database

Information card for entry 7236125

Preview

Coordinates	7236125.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H37 N3 Ni1.5 O12.5 P3
Calculated formula	C27 H27.5 N3 Ni1.5 O12.5 P3
Title of publication	Kinetic molecular sieving, thermodynamic and structural aspects of gas/vapor sorption on metal organic framework [Ni1.5(4,4′-bipyridine)1.5(H3L)(H2O)3][H2O]7 where H6L = 2,4,6-trimethylbenzene-1,3,5-triyl tris(methylene)triphosphonic acid
Authors of publication	Zhao, Xuebo; Bell, Jon G.; Tang, Si-Fu; Li, Liangjun; Thomas, K. Mark
Journal of publication	Journal of Materials Chemistry A
Year of publication	2016
Journal volume	4
Journal issue	4
Pages of publication	1353
a	18.5564 ± 0.0016 Å
b	18.5564 ± 0.0016 Å
c	22.937 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	7898.1 ± 1.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	121
Hermann-Mauguin space group symbol	I -4 2 m
Hall space group symbol	I -4 2
Residual factor for all reflections	0.1402
Residual factor for significantly intense reflections	0.0856
Weighted residual factors for significantly intense reflections	0.1941
Weighted residual factors for all reflections included in the refinement	0.2226
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
233940 (current)	2019-11-23	cif/ Adding structures of 7236124, 7236125 via cif-deposit CGI script.	7236125.cif