Crystallography Open Database

Information card for entry 4502019

4502018 << 4502019 >> 4502020

Preview

Coordinates	4502019.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H16 N3 Ni O5
Calculated formula	C21 H16 N3 Ni O5
Title of publication	Syntheses, Characterizations, and Properties of Six Metal−Organic Complexes Based on Flexible Ligand 5-(4-Pyridyl)-methoxyl Isophthalic Acid
Authors of publication	Qin, Ling; Hu, Jin-Song; Huang, Liang-Fang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	9
Pages of publication	4176
a	15.564 ± 0.003 Å
b	15.55 ± 0.003 Å
c	16.359 ± 0.003 Å
α	90°
β	106.917 ± 0.004°
γ	90°
Cell volume	3787.9 ± 1.2 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0862
Residual factor for significantly intense reflections	0.0601
Weighted residual factors for significantly intense reflections	0.1253
Weighted residual factors for all reflections included in the refinement	0.1333
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4502019.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502019.cif
36204	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4502015, 4502016, 4502017, 4502018, 4502019, 4502020 via cif-deposit CGI script.	4502019.cif