Crystallography Open Database

Information card for entry 1556526

Preview

Coordinates	1556526.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C133 H160 F12 Mn6 N19 O20 P2 Re
Calculated formula	C133 H152 F12 Mn6 N19 O20 P2 Re
SMILES	[Re](C#[N][Mn]123(Oc4c(C=[N]3CC[N]2=Cc2c(O1)ccc(c2)C)cc(cc4)C)[OH]C(C)C)(C#[N][Mn]123(Oc4c(cc(C)cc4)C=[N]2CC[N]3=Cc2c(O1)ccc(C)c2)[OH2])(C#[N][Mn]123(Oc4c(C=[N]2CC[N]3=Cc2cc(ccc2O1)C)cc(C)cc4)[OH]C(C)C)(C#[N][Mn]123Oc4c(C=[N]2CC[N]3=Cc2cc(ccc2O1)C)cc(C)cc4)(C#N)(C#N)C#[N][Mn]123Oc4ccc(cc4C=[N]3CC[N]2=Cc2cc(ccc2O1)C)C.[Mn]123(Oc4c(C=[N]3CC[N]2=Cc2cc(ccc2O1)C)cc(cc4)C)([OH2])[OH]C(C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].OC(C)C.OC(C)C.OC(C)C
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	23.738 ± 0.0007 Å
b	20.5122 ± 0.0006 Å
c	29.8804 ± 0.0009 Å
α	90°
β	93.37 ± 0.002°
γ	90°
Cell volume	14524.2 ± 0.7 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	8
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	0.1664
Residual factor for significantly intense reflections	0.1082
Weighted residual factors for significantly intense reflections	0.1959
Weighted residual factors for all reflections included in the refinement	0.225
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
245014 (current)	2019-12-12	cif/ Adding structures of 1556526 via cif-deposit CGI script.	1556526.cif