Crystallography Open Database

Information card for entry 4500732

Preview

Coordinates	4500732.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C102 H158 F6 N24 Ni3 O25
Calculated formula	C102 H130 F6 N24 Ni3 O25
Title of publication	Unprecedented Tuning of Structures and Gas Sorption Properties of Two 2D Nickel Metal−Organic Frameworks via Altering the Positions of Fluorine Atoms in Azamacrocyclic Ligands
Authors of publication	Meng, Xian-Rui; Zhong, Di-Chang; Jiang, Long; Li, Huan-Yong; Lu, Tong-Bu
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	5
Pages of publication	2020
a	10.3512 ± 0.0016 Å
b	16.252 ± 0.0015 Å
c	19.239 ± 0.002 Å
α	72.012 ± 0.009°
β	82.716 ± 0.011°
γ	72.597 ± 0.011°
Cell volume	2935.3 ± 0.7 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1328
Residual factor for significantly intense reflections	0.0893
Weighted residual factors for significantly intense reflections	0.2258
Weighted residual factors for all reflections included in the refinement	0.2553
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179538 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/07.	4500732.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500732.cif
34613	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500732, 4500733 via cif-deposit CGI script.	4500732.cif