Crystallography Open Database

Information card for entry 4339785

Preview

Coordinates	4339785.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H27 Mn N13 O4
Calculated formula	C35 H27 Mn N13 O4
SMILES	[Mn]12345OC(=N[N]4=C(N)c4[n]5cccc4)C(=NNC(=O)c4nc(C(=O)NN=C(C(=N[N]3=C(N)c3[n]2cccc3)O1)c1ccccc1)ccc4)c1ccccc1
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	15.139 ± 0.01 Å
b	10.791 ± 0.007 Å
c	21.138 ± 0.013 Å
α	90°
β	97.04 ± 0.02°
γ	90°
Cell volume	3427 ± 4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0958
Residual factor for significantly intense reflections	0.0883
Weighted residual factors for significantly intense reflections	0.2083
Weighted residual factors for all reflections included in the refinement	0.2174
Goodness-of-fit parameter for all reflections included in the refinement	1.132
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.	4339785.cif
117536	2014-06-15	cif/ Adding structures of 4339779, 4339780, 4339781, 4339782, 4339783, 4339784, 4339785, 4339786 via cif-deposit CGI script.	4339785.cif