Crystallography Open Database

Information card for entry 7714753

Preview

Coordinates	7714753.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C97.5 H58 Cl4 F6 Mn2 N22 O Sb
Calculated formula	C97.5 H58 Cl4 F6 Mn2 N22 O Sb
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	13.9153 ± 0.0005 Å
b	14.933 ± 0.0004 Å
c	25.6822 ± 0.0008 Å
α	89.6 ± 0.002°
β	80.169 ± 0.002°
γ	88.144 ± 0.002°
Cell volume	5255.6 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.118
Residual factor for significantly intense reflections	0.0986
Weighted residual factors for significantly intense reflections	0.2809
Weighted residual factors for all reflections included in the refinement	0.2989
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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.	7714753.cif
288402	2023-12-19	cif/ Adding structures of 7714753, 7714754, 7714755, 7714756, 7714757, 7714758, 7714759 via cif-deposit CGI script.	7714753.cif