Crystallography Open Database

Information card for entry 4339784

Preview

Coordinates	4339784.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H73 Cl8 Mn4 N42 O32.5
Calculated formula	C66 H72 Cl8 Mn4 N42 O32.5
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	14.508 ± 0.002 Å
b	19.241 ± 0.003 Å
c	36.547 ± 0.005 Å
α	90°
β	90.801 ± 0.009°
γ	90°
Cell volume	10201 ± 3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.112
Residual factor for significantly intense reflections	0.0918
Weighted residual factors for significantly intense reflections	0.2286
Weighted residual factors for all reflections included in the refinement	0.239
Goodness-of-fit parameter for all reflections included in the refinement	1.169
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4339784.cif
117536	2014-06-15	cif/ Adding structures of 4339779, 4339780, 4339781, 4339782, 4339783, 4339784, 4339785, 4339786 via cif-deposit CGI script.	4339784.cif