Crystallography Open Database

Information card for entry 4502888

Preview

Coordinates	4502888.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H12 N O5 Zn
Calculated formula	C21 H12 N O5 Zn
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	15.439 ± 0.007 Å
b	15.439 ± 0.007 Å
c	28.034 ± 0.013 Å
α	90°
β	90°
γ	90°
Cell volume	6682 ± 5 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	140
Hermann-Mauguin space group symbol	I 4/m c m
Hall space group symbol	-I 4 2c
Residual factor for all reflections	0.0771
Residual factor for significantly intense reflections	0.0614
Weighted residual factors for significantly intense reflections	0.2297
Weighted residual factors for all reflections included in the refinement	0.2529
Goodness-of-fit parameter for all reflections included in the refinement	1.114
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.	4502888.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502888.cif
37781	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 4502885, 4502886, 4502887, 4502888 via cif-deposit CGI script.	4502888.cif