Crystallography Open Database

Information card for entry 4512976

Preview

Coordinates	4512976.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H20 Cd N4 O5
Calculated formula	C18 H20 Cd N4 O5
Title of publication	Synthesis and Characterization of Polyhedral-Based Metal‒Organic Frameworks Using a Flexible Bipyrazole Ligand: Topological Analysis and Sorption Property Studies
Authors of publication	Tomar, Kapil; Rajak, Richa; Sanda, Suresh; Konar, Sanjit
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	6
Pages of publication	2732
a	10.34 ± 0.005 Å
b	12.798 ± 0.005 Å
c	19.845 ± 0.005 Å
α	90 ± 0.005°
β	99.722 ± 0.005°
γ	90 ± 0.005°
Cell volume	2588.4 ± 1.7 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0741
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.1263
Weighted residual factors for all reflections included in the refinement	0.1407
Goodness-of-fit parameter for all reflections included in the refinement	0.989
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	4512976.cif
138054	2015-06-05	cif/ Updating files of 4512910, 4512975, 4512976, 4512977, 4512978, 4512979 Original log message: Adding full bibliography for 4512910--4512979.cif.	4512976.cif
136697	2015-05-18	cif/ Adding structures of 4512976 via cif-deposit CGI script.	4512976.cif