Crystallography Open Database

Information card for entry 7208278

7208277 << 7208278 >> 7208279

Preview

Coordinates	7208278.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H30 N4 O12 Zn2
Calculated formula	C21 H21 N4 O12 Zn2
Title of publication	Remarkable solvent-size effects in constructing novel porous 1,3,5-benzenetricarboxylate metal‒organic frameworks
Authors of publication	Hao, Xiang-Rong; Wang, Xin-Long; Shao, Kui-Zhan; Yang, Guang-Sheng; Su, Zhong-Min; Yuan, Gang
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	17
Pages of publication	5596
a	12.935 ± 0.005 Å
b	14.708 ± 0.005 Å
c	15.359 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	2922 ± 1.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0468
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.0995
Weighted residual factors for all reflections included in the refinement	0.1063
Goodness-of-fit parameter for all reflections included in the refinement	0.931
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180413 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/82.	7208278.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7208278.cif
64239	2012-08-11	cif/ Adding structures of 7208278, 7208279, 7208280, 7208281, 7208282, 7208283, 7208284 via cif-deposit CGI script.	7208278.cif