Crystallography Open Database

Information card for entry 7714758

Preview

Coordinates	7714758.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41.67 H25.33 Cl4.67 F4 Mn0.67 N6.67 O0 Sb0.67
Calculated formula	C41.6667 H25.6667 Cl4.66667 F4 Mn0.666667 N6.66667 Sb0.666667
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	23.6576 ± 0.0004 Å
b	23.6576 ± 0.0004 Å
c	42.1881 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	23611.9 ± 0.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0912
Residual factor for significantly intense reflections	0.0768
Weighted residual factors for significantly intense reflections	0.224
Weighted residual factors for all reflections included in the refinement	0.2449
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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.	7714758.cif
288402	2023-12-19	cif/ Adding structures of 7714753, 7714754, 7714755, 7714756, 7714757, 7714758, 7714759 via cif-deposit CGI script.	7714758.cif