Crystallography Open Database

Information card for entry 7206974

7206973 << 7206974 >> 7206975

Preview

Coordinates	7206974.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H25 N3 Ni O5
Calculated formula	C28 H25 N3 Ni O5
Title of publication	Divalent metal coordination polymers assembled from dual linkers ‒ semirigid carboxyphenylpropionate and dipyridyl type molecule
Authors of publication	Liu, Guang-Zhen; Wang, Jian-Ge; Wang, Li-Ya
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	3
Pages of publication	951
a	28.262 ± 0.005 Å
b	9.1619 ± 0.0018 Å
c	20.511 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	5311 ± 1.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	45
Hermann-Mauguin space group symbol	I b a 2
Hall space group symbol	I 2 -2c
Residual factor for all reflections	0.1216
Residual factor for significantly intense reflections	0.0674
Weighted residual factors for significantly intense reflections	0.1716
Weighted residual factors for all reflections included in the refinement	0.2049
Goodness-of-fit parameter for all reflections included in the refinement	1.108
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
180400 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/69.	7206974.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206974.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206974.cif
32452	2012-02-09	../uploads/cif-deposit/cod/cif Adding structures of 7206972, 7206973, 7206974, 7206975, 7206976, 7206977 via cif-deposit CGI script.	7206974.cif