Crystallography Open Database

Information card for entry 4345213

Preview

Coordinates	4345213.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H24 Br Cl0 Ga N4
Calculated formula	C34 H24 Br Ga N4
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	23.741 ± 0.004 Å
b	8.2881 ± 0.0012 Å
c	37.026 ± 0.005 Å
α	90°
β	93.187 ± 0.004°
γ	90°
Cell volume	7274.3 ± 1.9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.1471
Residual factor for significantly intense reflections	0.0664
Weighted residual factors for significantly intense reflections	0.161
Weighted residual factors for all reflections included in the refinement	0.1922
Goodness-of-fit parameter for all reflections included in the refinement	1.003
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
194788 (current)	2017-04-04	cif/ Updating files of 4345212, 4345213 Original log message: Adding full bibliography for 4345212--4345213.cif.	4345213.cif
192170	2017-02-16	cif/ Adding structures of 4345213 via cif-deposit CGI script.	4345213.cif