Crystallography Open Database

Information card for entry 4505700

Preview

Coordinates	4505700.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H24 N6
Calculated formula	C34 H24 N6
SMILES	c12ccccc1nccc2/C=N/N=C(\C(c1ccccc1)=N/N=C/c1c2ccccc2ncc1)c1ccccc1
Title of publication	Supramolecular Design of Coordination Complexes of Silver(I) with Polyimine Ligands: Synthesis, Materials Characterization, and Structure of New Polymeric and Oligomeric Materials
Authors of publication	Patra, Goutam Kumar; Goldberg, Israel
Journal of publication	Crystal Growth & Design
Year of publication	2003
Journal volume	3
Journal issue	3
Pages of publication	321
a	26.311 ± 0.0005 Å
b	9.331 ± 0.0002 Å
c	11.778 ± 0.0003 Å
α	90°
β	115.072 ± 0.0009°
γ	90°
Cell volume	2619.13 ± 0.1 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	3
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	0.0613
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for significantly intense reflections	0.1095
Weighted residual factors for all reflections included in the refinement	0.1207
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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
179593 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/57.	4505700.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4505700.cif
53702	2012-04-20	cif/ Adding structures of 4505692, 4505693, 4505694, 4505695, 4505696, 4505697, 4505698, 4505699, 4505700 via cif-deposit CGI script.	4505700.cif