Crystallography Open Database

Information card for entry 4502886

Preview

Coordinates	4502886.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H52 N4 O12 Zn2
Calculated formula	C48 H52 N4 O12 Zn2
Title of publication	Tuning the Formations of Metal‒Organic Frameworks by Modification of Ratio of Reactant, Acidity of Reaction System, and Use of a Secondary Ligand
Authors of publication	Gao, Qian; Xie, Ya-Bo; Li, Jian-Rong; Yuan, Da-Qiang; Yakovenko, Audrey A.; Sun, Ji-Hong; Zhou, Hong-Cai
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	1
Pages of publication	281
a	15.2766 ± 0.0011 Å
b	19.701 ± 0.0014 Å
c	15.5903 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	4692.1 ± 0.6 Å³
Cell temperature	104 ± 2 K
Ambient diffraction temperature	104 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1019
Residual factor for significantly intense reflections	0.0848
Weighted residual factors for significantly intense reflections	0.2133
Weighted residual factors for all reflections included in the refinement	0.2184
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
179559 (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 4/50/28.	4502886.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502886.cif
37781	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 4502885, 4502886, 4502887, 4502888 via cif-deposit CGI script.	4502886.cif