Crystallography Open Database

Information card for entry 4339780

Preview

Coordinates	4339780.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C144 H134 Mn16 N72 O63
Calculated formula	C144 H96 Mn16 N72 O63
Title of publication	Supramolecular self-assembled polynuclear complexes from tritopic, tetratopic, and pentatopic ligands: structural, magnetic and surface studies.
Authors of publication	Dey, Subrata K.; Abedin, Tareque S. M.; Dawe, Louise N.; Tandon, Santokh S.; Collins, Julie L.; Thompson, Laurence K.; Postnikov, Andrei V.; Alam, Mohammad S.; Müller, Paul
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	19
Pages of publication	7767 - 7781
a	13.27 ± 0.02 Å
b	21.36 ± 0.03 Å
c	33.87 ± 0.05 Å
α	90°
β	90°
γ	90°
Cell volume	9600 ± 2 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	23
Hermann-Mauguin space group symbol	I 2 2 2
Hall space group symbol	I 2 2
Residual factor for all reflections	0.13
Residual factor for significantly intense reflections	0.1229
Weighted residual factors for significantly intense reflections	0.3582
Weighted residual factors for all reflections included in the refinement	0.3786
Goodness-of-fit parameter for all reflections included in the refinement	1.633
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
179500 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/97.	4339780.cif
117536	2014-06-15	cif/ Adding structures of 4339779, 4339780, 4339781, 4339782, 4339783, 4339784, 4339785, 4339786 via cif-deposit CGI script.	4339780.cif