Crystallography Open Database

Information card for entry 4512974

Preview

Coordinates	4512974.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H17 Mn N5 O5
Calculated formula	C22 H17 Mn N5 O5
Title of publication	Coordination Polymers Assembled From 3,3′,5,5′-Azobenzenetetracarboxylic Acid and Different Bis(imidazole) Ligands with Varying Flexibility
Authors of publication	Arıcı, Mürsel; Yeşilel, Okan Zafer; Taş, Murat
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	6
Pages of publication	3024
a	8.6073 ± 0.0001 Å
b	10.209 ± 0.0002 Å
c	12.6781 ± 0.0002 Å
α	108.254 ± 0.001°
β	97.836 ± 0.001°
γ	97.302 ± 0.001°
Cell volume	1030.9 ± 0.03 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0943
Residual factor for significantly intense reflections	0.092
Weighted residual factors for significantly intense reflections	0.2499
Weighted residual factors for all reflections included in the refinement	0.2521
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
138047 (current)	2015-06-05	cif/ Updating files of 4512970, 4512971, 4512972, 4512973, 4512974 Original log message: Adding full bibliography for 4512970--4512974.cif.	4512974.cif
136695	2015-05-18	cif/ Adding structures of 4512974 via cif-deposit CGI script.	4512974.cif