Crystallography Open Database

Information card for entry 1530399

Preview

Coordinates	1530399.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H75 Co3 Fe2 N21 O12
Calculated formula	C57 H63 Co3 Fe2 N21 O11
Title of publication	A heterometallic nanosized tube {Fe[(CN)6]2[Co(LN3O2)]3}nand two of its lamellar polymorphous isomers
Authors of publication	Pan, F.; Gao, S.; Liu, H. Z.
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	39
Pages of publication	7490
a	10.187 ± 0.002 Å
b	42.792 ± 0.009 Å
c	17.083 ± 0.003 Å
α	90°
β	101.5 ± 0.03°
γ	90°
Cell volume	7297 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.1999
Residual factor for significantly intense reflections	0.094
Weighted residual factors for significantly intense reflections	0.2726
Weighted residual factors for all reflections included in the refinement	0.3198
Goodness-of-fit parameter for all reflections included in the refinement	0.934
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	1530399.cif
171026	2015-12-09	cif/ Updating files of 1530397, 1530398, 1530399 Original log message: Adding full bibliography for 1530397--1530399.cif.	1530399.cif
155485	2015-09-09	cif/ Adding structures of 1530397, 1530398, 1530399 via cif-deposit CGI script.	1530399.cif