Crystallography Open Database

Information card for entry 8000113

Preview

Coordinates	8000113.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H9 Mn N O5
Calculated formula	C7 H9 Mn N O5
Title of publication	Two New Coordination Polymers Based on Hexanuclear Metal Cluster Cores
Authors of publication	Chen, Jinxi; Ohba, Masaaki; Kitagawa, Susumu
Journal of publication	Chemistry Letters
Year of publication	2006
Journal volume	35
Journal issue	5
Pages of publication	526
a	14.2146 ± 0.001 Å
b	14.2146 ± 0.001 Å
c	8.1976 ± 0.0008 Å
α	90°
β	90°
γ	120°
Cell volume	1434.5 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.0267
Residual factor for significantly intense reflections	0.0262
Weighted residual factors for significantly intense reflections	0.067
Weighted residual factors for all reflections included in the refinement	0.0675
Goodness-of-fit parameter for all reflections included in the refinement	1.134
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8000113.cif
176728	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8000113.cif
94263	2014-01-22	cif/ Adding structures of 8000113 via cif-deposit CGI script.	8000113.cif