Crystallography Open Database

Information card for entry 4512977

Preview

Coordinates	4512977.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H30 Mn N8 O4
Calculated formula	C26 H30 Mn N8 O4
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	19.9356 ± 0.0006 Å
b	19.9356 ± 0.0006 Å
c	50.3772 ± 0.0013 Å
α	90°
β	90°
γ	120°
Cell volume	17339 ± 0.9 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	5
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0891
Residual factor for significantly intense reflections	0.0685
Weighted residual factors for significantly intense reflections	0.1525
Weighted residual factors for all reflections included in the refinement	0.1616
Goodness-of-fit parameter for all reflections included in the refinement	1.168
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.	4512977.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.	4512977.cif
136698	2015-05-18	cif/ Adding structures of 4512977 via cif-deposit CGI script.	4512977.cif