Crystallography Open Database

Information card for entry 7223238

Preview

Coordinates	7223238.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H30 Gd2 N4 Na2 O21 Zn
Calculated formula	C52 H30 Gd2 N4 Na2 O21 Zn
Title of publication	Ameliorated synthetic methodology for crystalline lanthanoid‒metalloporphyrin open frameworks based on a multitopic octacarboxy-porphyrin scaffold: structural, gas sorption and photophysical properties
Authors of publication	Tripuramallu, Bharat Kumar; Titi, Hatem M.; Roy, Sadipan; Verma, Roli; Goldberg, Israel
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	4
Pages of publication	515
a	27.631 ± 0.0019 Å
b	29.08 ± 0.003 Å
c	13.136 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	10554.9 ± 1.5 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	7
Space group number	74
Hermann-Mauguin space group symbol	I m m a
Hall space group symbol	-I 2b 2
Residual factor for all reflections	0.0866
Residual factor for significantly intense reflections	0.0646
Weighted residual factors for significantly intense reflections	0.1841
Weighted residual factors for all reflections included in the refinement	0.1959
Goodness-of-fit parameter for all reflections included in the refinement	0.966
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
175945 (current)	2016-02-05	cif/ Updating files of 7223238, 7223239, 7223240, 7223241 Original log message: Adding full bibliography for 7223238--7223241.cif.	7223238.cif
170289	2015-11-14	cif/ Adding structures of 7223238, 7223239, 7223240, 7223241 via cif-deposit CGI script.	7223238.cif