Crystallography Open Database

Information card for entry 7714754

Preview

Coordinates	7714754.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H39 F6 Mn N8 O3 Sb
Calculated formula	C44 H39 F6 Mn N8 O3 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	8.5811 ± 0.0001 Å
b	10.4045 ± 0.0001 Å
c	23.5751 ± 0.0002 Å
α	87.287 ± 0.001°
β	81.729 ± 0.001°
γ	80.121 ± 0.001°
Cell volume	2051.5 ± 0.04 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0702
Residual factor for significantly intense reflections	0.0633
Weighted residual factors for significantly intense reflections	0.1491
Weighted residual factors for all reflections included in the refinement	0.1538
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	7714754.cif
288402	2023-12-19	cif/ Adding structures of 7714753, 7714754, 7714755, 7714756, 7714757, 7714758, 7714759 via cif-deposit CGI script.	7714754.cif