Crystallography Open Database

Information card for entry 7705000

Preview

Coordinates	7705000.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C325.5 H217.5 N55.5 O55.5 Zn18
Calculated formula	C325.5 H214.5 N55.5 O55.5 Zn18
Title of publication	Framework induced deformation modulates the photophysical properties of ZnTetra(4-pyridyl)porphyrin incorporated within a new metal organic framework, RWLAA-1.
Authors of publication	Alanazi, Abdulaziz A.; Wojtas, Lukasz; Mayers, Jacob M.; Miksovska, Jaroslava; Larsen, Randy W.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	33
Pages of publication	11668 - 11674
a	26.8343 ± 0.0009 Å
b	26.8343 ± 0.0009 Å
c	14.8769 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	9277.3 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	175
Hermann-Mauguin space group symbol	P 6/m
Hall space group symbol	-P 6
Residual factor for all reflections	0.1112
Residual factor for significantly intense reflections	0.1024
Weighted residual factors for significantly intense reflections	0.2904
Weighted residual factors for all reflections included in the refinement	0.2974
Goodness-of-fit parameter for all reflections included in the refinement	1.162
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
256078 (current)	2020-09-06	cif/ Updating files of 7705000 Original log message: Adding full bibliography for 7705000.cif.	7705000.cif
254760	2020-08-04	cif/ Adding structures of 7705000 via cif-deposit CGI script.	7705000.cif