Crystallography Open Database

Information card for entry 7218246

Preview

Coordinates	7218246.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H82 N2 Ni4 O39
Calculated formula	C54 H54 N2 Ni4 O39
Title of publication	Four coordination polymers constructed by a novel octacarboxylate functionalized calix[4]arene ligand: syntheses, structures, and photoluminescence property
Authors of publication	Zhang, Hang; Jiang, Wei; Yang, Jin; Liu, Ying-Ying; Song, Shuyan; Ma, Jian-Fang
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	42
Pages of publication	9939
a	16.719 ± 0.0007 Å
b	16.719 ± 0.0007 Å
c	24.598 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	5954.6 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	152
Hermann-Mauguin space group symbol	P 31 2 1
Hall space group symbol	P 31 2"
Residual factor for all reflections	0.1284
Residual factor for significantly intense reflections	0.0746
Weighted residual factors for significantly intense reflections	0.1964
Weighted residual factors for all reflections included in the refinement	0.2379
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180513 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/82.	7218246.cif
126377	2014-11-06	cif/ Updating files of 7218244, 7218245, 7218246, 7218247 Original log message: Adding full bibliography for 7218244--7218247.cif.	7218246.cif
124196	2014-09-25	cif/ Adding structures of 7218244, 7218245, 7218246, 7218247 via cif-deposit CGI script.	7218246.cif