Crystallography Open Database

Information card for entry 7209749

7209748 << 7209749 >> 7209750

Preview

Coordinates	7209749.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65 H44 Cl4 Cr Mn N10 O5
Calculated formula	C65 H44 Cl4 Cr Mn N10 O5
SMILES	[Mn]123([OH]C)([N]#C[Cr]456(N(c7c(N4C(=O)c4[n]6cccc4)cccc7)C(=O)c4[n]5cccc4)C#N)[n]4c5=C(c6n1c(C(=c1[n]2c(C(=c2n3c(=C(c4cc5)c3ccc(Cl)cc3)cc2)c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1)cc6)c1ccc(Cl)cc1.O.O
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	16.102 ± 0.004 Å
b	18.12 ± 0.004 Å
c	24.444 ± 0.005 Å
α	90°
β	99.438 ± 0.004°
γ	90°
Cell volume	7035 ± 3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 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	0.1894
Residual factor for significantly intense reflections	0.0759
Weighted residual factors for significantly intense reflections	0.172
Weighted residual factors for all reflections included in the refinement	0.226
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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.	7209749.cif
86086	2013-05-09	cif/ Adding structures of 7209744, 7209745, 7209746, 7209747, 7209748, 7209749 via cif-deposit CGI script.	7209749.cif