Crystallography Open Database

Information card for entry 7005952

Preview

Coordinates	7005952.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H40 N8 O12 Zn2
Calculated formula	C36 H34 N8 O12 Zn2
Title of publication	Syntheses, structures, and optical properties of novel zinc(ii) complexes with multicarboxylate and N-donor ligands.
Authors of publication	Chu, Qian; Liu, Guang-Xiang; Huang, Yong-Qing; Wang, Xiao-Feng; Sun, Wei-Yin
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2007
Journal issue	38
Pages of publication	4302 - 4311
a	10.8373 ± 0.0014 Å
b	24.482 ± 0.003 Å
c	14.661 ± 0.0018 Å
α	90°
β	95.565 ± 0.002°
γ	90°
Cell volume	3871.5 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.088
Residual factor for significantly intense reflections	0.0599
Weighted residual factors for significantly intense reflections	0.1391
Weighted residual factors for all reflections included in the refinement	0.1533
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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.	7005952.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7005952.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7005952.cif
1186	2010-06-03	Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing.	7005952.cif