Crystallography Open Database

Information card for entry 7714759

Preview

Coordinates	7714759.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H46 Cl2 F6 Mn N8 O2 P2 Sb
Calculated formula	C74 H46 Cl2 F6 Mn N8 O2 P2 Sb
SMILES	[Sb](F)(F)([F-])(F)(F)F.[Mn]123([O]=P(c4ccccc4)(c4ccccc4)c4ccccc4)([O]=P(c4ccccc4)(c4ccccc4)c4ccccc4)[n]4c5N=c6n3c(=Nc3[n]2c(=Nc2n1c(N=c4c1c5cccc1)c1ccccc21)c1ccccc31)c1ccccc61.Clc1ccccc1Cl
Title of publication	Tuning the visible colour of octahedral manganese(III) phthalocyanines <i>via</i> axial ligand exchange.
Authors of publication	McKearney, Declan; MacDonald, Kyle; Kim, Min Suk; Williams, Vance E.; Leznoff, Daniel B.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	3
Pages of publication	938 - 948
a	9.3814 ± 0.0004 Å
b	11.7093 ± 0.0005 Å
c	15.1727 ± 0.0007 Å
α	77.135 ± 0.004°
β	81.131 ± 0.004°
γ	89.347 ± 0.004°
Cell volume	1604.99 ± 0.13 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	9
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0805
Residual factor for significantly intense reflections	0.0766
Weighted residual factors for significantly intense reflections	0.1962
Weighted residual factors for all reflections included in the refinement	0.1998
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
289555 (current)	2024-02-04	cif/ Updating files of 7714753, 7714754, 7714755, 7714756, 7714757, 7714758, 7714759 Original log message: Adding full bibliography for 7714753--7714759.cif.	7714759.cif
288402	2023-12-19	cif/ Adding structures of 7714753, 7714754, 7714755, 7714756, 7714757, 7714758, 7714759 via cif-deposit CGI script.	7714759.cif