Crystallography Open Database

Information card for entry 4506038

Preview

Coordinates	4506038.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C98 H68 N6 O14 Zn3
Calculated formula	C98 H68 N6 O14 Zn3
Title of publication	Microporous Metal‒Organic Framework Based on Mixing Nanosized Tris((4-carboxyl)-phenylduryl)amine and 4,4′-Bipyridine Ligands for Gas Storage and Separation
Authors of publication	Tan, Yan-Xi; He, Yan-Ping; Zhang, Jian
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	5
Pages of publication	2468
a	9.471 ± 0.0011 Å
b	17.3579 ± 0.0017 Å
c	19.6831 ± 0.0019 Å
α	76.227 ± 0.003°
β	83.232 ± 0.003°
γ	88.407 ± 0.003°
Cell volume	3120.9 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0618
Residual factor for significantly intense reflections	0.0564
Weighted residual factors for significantly intense reflections	0.2069
Weighted residual factors for all reflections included in the refinement	0.2158
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
179596 (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 4/50/60.	4506038.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506038.cif
57479	2012-05-18	cif/ Adding structures of 4506038 via cif-deposit CGI script.	4506038.cif