Crystallography Open Database

Information card for entry 4345563

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Coordinates	4345563.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H33 Cl In N4 O3 P
Calculated formula	C38 H33 Cl In N4 O3 P
Title of publication	Gallium(III) and Indium(III) Complexes with meso-Monophosphorylated Porphyrins: Synthesis and Structure. A First Example of Dimers Formed by the Self-Assembly of meso-Porphyrinylphosphonic Acid Monoester.
Authors of publication	Enakieva, Yulia Yu; Volostnykh, Marina V.; Nefedov, Sergey E.; Kirakosyan, Gayane A.; Gorbunova, Yulia G.; Tsivadze, Aslan Yu; Bessmertnykh-Lemeune, Alla G; Stern, Christine; Guilard, Roger
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	5
Pages of publication	3055 - 3070
a	12.995 ± 0.003 Å
b	16.152 ± 0.004 Å
c	16.714 ± 0.004 Å
α	86.087 ± 0.004°
β	78.858 ± 0.004°
γ	88.057 ± 0.004°
Cell volume	3433.3 ± 1.4 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	0.1407
Residual factor for significantly intense reflections	0.0727
Weighted residual factors for significantly intense reflections	0.1798
Weighted residual factors for all reflections included in the refinement	0.2206
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
194693 (current)	2017-04-04	cif/ Adding structures of 4345563 via cif-deposit CGI script.	4345563.cif