Crystallography Open Database

Information card for entry 7220011

7220010 << 7220011 >> 7220012

Preview

Coordinates	7220011.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H52 Mn3 N4 O18
Calculated formula	C78 H52 Mn3 N4 O18
Title of publication	A family of coordination polymers assembled with a flexible hexacarboxylate ligand and auxiliary N-donor ligands: syntheses, structures, and physical properties
Authors of publication	Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Kang, Da-Wei; Ma, Jian-Fang
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	16
Pages of publication	3181
a	11.461 ± 0.0012 Å
b	12.126 ± 0.0014 Å
c	13.13 ± 0.002 Å
α	99.683 ± 0.004°
β	106.979 ± 0.003°
γ	99.307 ± 0.005°
Cell volume	1676.8 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.1041
Residual factor for significantly intense reflections	0.0628
Weighted residual factors for significantly intense reflections	0.144
Weighted residual factors for all reflections included in the refinement	0.1663
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180531 (current)	2016-03-26	cif/7/22/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/22/00.	7220011.cif
138528	2015-06-07	cif/ Updating files of 7220010, 7220011, 7220012, 7220013, 7220014, 7220015, 7220016, 7220017, 7220018 Original log message: Adding full bibliography for 7220010--7220018.cif.	7220011.cif
134468	2015-03-28	cif/ Adding structures of 7220010, 7220011, 7220012, 7220013, 7220014, 7220015, 7220016, 7220017, 7220018 via cif-deposit CGI script.	7220011.cif