Crystallography Open Database

Information card for entry 7028229

Preview

Coordinates	7028229.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H38 Cd F6 N2 O6
Calculated formula	C40 H38 Cd F6 N2 O6
SMILES	FC(F)(F)C1=[O][Cd]2(OC(=C1)c1ccc3n(CCCC)c4c(c3c1)cccc4)([OH2])([OH2])OC(=CC(=[O]2)C(F)(F)F)c1ccc2n(CCCC)c3c(c2c1)cccc3
Title of publication	Two novel six-coordinated cadmium(II) and zinc(II) complexes from carbazate β-diketonate: crystal structures, enhanced two-photon absorption and biological imaging application.
Authors of publication	Nie, Cuiyun; Zhang, Qiong; Ding, Hongjuan; Huang, Bei; Wang, Xinyan; Zhao, Xianghua; Li, Shengli; Zhou, Hongping; Wu, Jieying; Tian, Yupeng
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	2
Pages of publication	599 - 608
a	39.6711 ± 0.0009 Å
b	5.3418 ± 0.0001 Å
c	20.25 ± 0.0005 Å
α	90°
β	104.292 ± 0.002°
γ	90°
Cell volume	4158.47 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0852
Residual factor for significantly intense reflections	0.0646
Weighted residual factors for significantly intense reflections	0.2065
Weighted residual factors for all reflections included in the refinement	0.2271
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
179988 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/82.	7028229.cif
105254	2014-03-12	cif/ Adding structures of 7028229, 7028230 via cif-deposit CGI script.	7028229.cif