Crystallography Open Database

Information card for entry 4303043

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Structure parameters

Formula	C16 H12 N4
Calculated formula	C16 H12 N4
SMILES	n1(nccc1)c1cccc2cccc(n3nccc3)c12
Title of publication	Manipulating Self-Assembly in Silver(I) Complexes of 1,3-Di-N-pyrazolylorganyls
Authors of publication	Brendan J. Liddle; Daniel Hall; Sergey V. Lindeman; Mark D. Smith; James R. Gardinier
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	8404 - 8414
a	10.44 ± 0.0001 Å
b	12.1821 ± 0.0001 Å
c	40.1946 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	5111.99 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0378
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.0869
Weighted residual factors for all reflections included in the refinement	0.0892
Goodness-of-fit parameter for all reflections included in the refinement	1.004
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301836 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/30/ Each referenced PubChem compound corresponds to the full crystal structure.	4303043.cif
179068	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/30.	4303043.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4303043.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4303043.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4303043.cif