Crystallography Open Database

Information card for entry 1556524

Preview

Coordinates	1556524.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H64 Mn2 N11 O18 P Re
Calculated formula	C67 H64 Mn2 N11 O18 P Re
SMILES	[Re](C#N)(C#N)(C#N)(C#N)(C#N)(C#N)C#N.[Mn]123(Oc4c(OC)cccc4C=[N]2CC[N]3=Cc2c(c(OC)ccc2)O1)([OH2])[OH2].[Mn]123(Oc4c(OC)cccc4C=[N]2CC[N]3=Cc2c(c(OC)ccc2)O1)([OH2])[OH2].[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.O.O.O.O.O.O
Title of publication	Assembly of Mn(III) Schiff Base Complexes with Heptacyanorhenate (IV)
Authors of publication	Sukhikh, T.S.; Vostrikova, K.E.
Journal of publication	Inorganics
Year of publication	2017
Journal volume	5
Pages of publication	59
a	14.2002 ± 0.0009 Å
b	15.7993 ± 0.0009 Å
c	18.047 ± 0.0011 Å
α	84.638 ± 0.003°
β	82.694 ± 0.004°
γ	65.057 ± 0.003°
Cell volume	3637.9 ± 0.4 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0495
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.0944
Weighted residual factors for all reflections included in the refinement	0.0978
Goodness-of-fit parameter for all reflections included in the refinement	1.12
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
245012 (current)	2019-12-12	cif/ Adding structures of 1556524 via cif-deposit CGI script.	1556524.cif