Crystallography Open Database

Information card for entry 7049443

Preview

Coordinates	7049443.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H35 N4 O3 P Zn
Calculated formula	C40 H35 N4 O3 P Zn
Title of publication	Coordination self-assembly through weak interactions in meso-dialkoxyphosphoryl-substituted zinc porphyrinates.
Authors of publication	Nefedov, Sergey E.; Birin, Kirill P.; Bessmertnykh-Lemeune, Alla; Enakieva, Yulia Y.; Sinelshchikova, Anna A.; Gorbunova, Yulia G.; Tsivadze, Aslan Y.; Stern, Christine; Fang, Yuanyuan; Kadish, Karl M.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	16
Pages of publication	5372 - 5383
a	11.4139 ± 0.0014 Å
b	21.797 ± 0.003 Å
c	26.842 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	6678 ± 1.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1366
Residual factor for significantly intense reflections	0.0736
Weighted residual factors for significantly intense reflections	0.1661
Weighted residual factors for all reflections included in the refinement	0.1946
Goodness-of-fit parameter for all reflections included in the refinement	1.147
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
224192 (current)	2019-11-08	cif/ Updating files of 7049441, 7049442, 7049443, 7049444, 7049445 Original log message: Adding full bibliography for 7049441--7049445.cif.	7049443.cif
214329	2019-03-26	cif/ Adding structures of 7049441, 7049442, 7049443, 7049444, 7049445 via cif-deposit CGI script.	7049443.cif