Crystallography Open Database

Information card for entry 7018478

Preview

Coordinates	7018478.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C108.8 H98.7 N11.6 Ni4 O22.35
Calculated formula	C108.3 H92.95 N11.6 Ni4 O22.1
Title of publication	A new class of thermo- and solvatochromic metal-organic frameworks based on 4-(pyridin-4-yl)benzoic acid.
Authors of publication	Mehlana, Gift; Bourne, Susan A.; Ramon, Gaëlle
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	14
Pages of publication	4224 - 4231
a	31.8199 ± 0.0019 Å
b	31.8199 ± 0.0019 Å
c	25.1149 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	25429 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	79
Hermann-Mauguin space group symbol	I 4
Hall space group symbol	I 4
Residual factor for all reflections	0.202
Residual factor for significantly intense reflections	0.1397
Weighted residual factors for significantly intense reflections	0.3935
Weighted residual factors for all reflections included in the refinement	0.4313
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7018478.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7018478.cif
52112	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 7018476, 7018477, 7018478 via cif-deposit CGI script.	7018478.cif