Crystallography Open Database

Information card for entry 4334318

Preview

Coordinates	4334318.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H30 N4 O12 Zn2
Calculated formula	C21 H30 N4 O12 Zn2
Title of publication	Crystal-to-Crystal Transformations of a Series of Isostructural Metal-Organic Frameworks with Different Sizes of Ligated Solvent Molecules
Authors of publication	Minhak Oh; Lalit Rajput; Dongwook Kim; Dohyun Moon; Myoung Soo Lah
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	3891 - 3899
a	12.662 ± 0.003 Å
b	14.662 ± 0.003 Å
c	15.434 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2865.3 ± 1.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0436
Residual factor for significantly intense reflections	0.0371
Weighted residual factors for significantly intense reflections	0.0794
Weighted residual factors for all reflections included in the refinement	0.0822
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
179446 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/43.	4334318.cif
100136	2014-02-04	cif/ Adding structures of 4334318 via cif-deposit CGI script.	4334318.cif