Crystallography Open Database

Information card for entry 7049445

Preview

Coordinates	7049445.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C152 H140 N16 O20 P4 Zn4
Calculated formula	C152 H140 N16 O20 P4 Zn4
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	20.973 ± 0.004 Å
b	20.973 ± 0.004 Å
c	15.568 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	6848 ± 3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for all reflections	0.1645
Residual factor for significantly intense reflections	0.0872
Weighted residual factors for significantly intense reflections	0.202
Weighted residual factors for all reflections included in the refinement	0.2377
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	7049445.cif
214329	2019-03-26	cif/ Adding structures of 7049441, 7049442, 7049443, 7049444, 7049445 via cif-deposit CGI script.	7049445.cif