Crystallography Open Database

Information card for entry 4313767

Preview

Coordinates	4313767.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H54 N24 O4
Calculated formula	C54 H54 N24 O4
SMILES	C(COCc1cc(c(COCC(n2cccn2)(n2cccn2)n2cccn2)cc1COCC(n1cccn1)(n1cccn1)n1cccn1)COCC(n1cccn1)(n1cccn1)n1cccn1)(n1cccn1)(n1cccn1)n1nccc1
Title of publication	Influences of Changes in Multitopic Tris(pyrazolyl)methane Ligand Topology on Silver(I) Supramolecular Structures
Authors of publication	Daniel L. Reger; Radu F. Semeniuc; Ioan Silaghi-Dumitrescu; Mark D. Smith
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	3751 - 3764
a	31.474 ± 0.0017 Å
b	6.7399 ± 0.0004 Å
c	25.7722 ± 0.0014 Å
α	90°
β	100.334 ± 0.001°
γ	90°
Cell volume	5378.4 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0647
Residual factor for significantly intense reflections	0.0546
Weighted residual factors for significantly intense reflections	0.1235
Weighted residual factors for all reflections included in the refinement	0.1281
Goodness-of-fit parameter for all reflections included in the refinement	1.128
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179202 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/37.	4313767.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4313767.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4313767.cif
6836	2011-01-12	../uploads/cif-deposit/cod/cif Adding structures of 4313767 via cif-deposit CGI script.	4313767.cif