Crystallography Open Database

Information card for entry 4506393

Preview

Coordinates	4506393.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H44 N8 O12 Zn2
Calculated formula	C64 H44 N8 O12 Zn2
Title of publication	Multifunctional 3-Fold Interpenetrated Porous Metal‒Organic Frameworks Composed of Unprecedented Self-Catenated Networks
Authors of publication	Luo, Feng; Yuan, Zi-Zun; Feng, Xue-Feng; Batten, Stuart R.; Li, Jian-Qiang; Luo, Ming-Biao; Liu, Shu-Juan; Xu, Wen-Yuan; Sun, Gong-Ming; Song, Yu-Mei; Huang, Hai-Xiao; Tian, Xian-Zhao
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	7
Pages of publication	3392
a	17.216 ± 0.0006 Å
b	28.9876 ± 0.0012 Å
c	30.7307 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	15336.2 ± 1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.0836
Residual factor for significantly intense reflections	0.0534
Weighted residual factors for significantly intense reflections	0.1336
Weighted residual factors for all reflections included in the refinement	0.1445
Goodness-of-fit parameter for all reflections included in the refinement	0.946
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
179599 (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 4/50/63.	4506393.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506393.cif
62267	2012-07-07	cif/ Adding structures of 4506393 via cif-deposit CGI script.	4506393.cif