Crystallography Open Database

Information card for entry 7209748

7209747 << 7209748 >> 7209749

Preview

Coordinates	7209748.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H52 Cl4 Co Mn N10 O6
Calculated formula	C68 H52 Cl4 Co Mn N10 O6
SMILES	[Co]123(N(c4c(N1C(=O)c1[n]3cccc1)cccc4)C(=O)c1[n]2cccc1)(C#N)C#[N][Mn]123([OH]C)[n]4c5=C(c6n3c(C(=c3[n]2c(C(=c2n1c(=C(c4cc5)c1ccc(Cl)cc1)cc2)c1ccc(cc1)Cl)cc3)c1ccc(cc1)Cl)cc6)c1ccc(cc1)Cl.OC.OC.OC
Title of publication	Substituent group tuned tri- and binuclear porphyrin-based cyanide-bridged bimetallic complexes: synthesis, crystal structures and magnetic properties
Authors of publication	Zhang, Daopeng; Zhao, Zengdian; Wang, Ping; Ni, Zhonghai
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	13
Pages of publication	2504
a	15.9553 ± 0.0014 Å
b	17.9118 ± 0.0016 Å
c	24.897 ± 0.002 Å
α	90°
β	99.081 ± 0.005°
γ	90°
Cell volume	7026.1 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.0791
Residual factor for significantly intense reflections	0.0581
Weighted residual factors for significantly intense reflections	0.1727
Weighted residual factors for all reflections included in the refinement	0.1878
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
180428 (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 7/20/97.	7209748.cif
86086	2013-05-09	cif/ Adding structures of 7209744, 7209745, 7209746, 7209747, 7209748, 7209749 via cif-deposit CGI script.	7209748.cif