Crystallography Open Database

Information card for entry 4503626

Preview

Coordinates	4503626.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C94 H70 N4 O36 Zn8
Calculated formula	C94 H70 N4 O36 Zn8
Title of publication	A (3,12)-Connected 3D Metal-Organic Framework Based on Nanosized Octanuclear Zinc Clusters
Authors of publication	Lan, Ya-Qian; Li, Shun-Li; Shao, Kui-Zhan; Wang, Xin-Long; Du, Dong-Ying; Su, Zhong-Min; Wang, De-Jun
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	10
Pages of publication	3490
a	14.31 ± 0.0017 Å
b	29.265 ± 0.003 Å
c	11.073 ± 0.0013 Å
α	90°
β	104.228 ± 0.002°
γ	90°
Cell volume	4494.9 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0889
Residual factor for significantly intense reflections	0.0604
Weighted residual factors for significantly intense reflections	0.1142
Weighted residual factors for all reflections included in the refinement	0.1241
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179571 (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 4/50/36.	4503626.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4503626.cif
41670	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503626 via cif-deposit CGI script.	4503626.cif