Crystallography Open Database

Information card for entry 4326643

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Structure parameters

Formula	C82 H78 B2 Cu2 F8 N8 P2 S2
Calculated formula	C82 H78 B2 Cu2 F8 N8 P2 S2
Title of publication	Structural Variability in Ag(I) and Cu(I) Coordination Polymers with Thioether-Functionalized Bis(pyrazolyl)methane Ligands
Authors of publication	Irene Bassanetti; Luciano Marchiò
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	10786 - 10797
a	14.345 ± 0.001 Å
b	14.54 ± 0.001 Å
c	18.668 ± 0.002 Å
α	96.202 ± 0.001°
β	90.753 ± 0.001°
γ	91.947 ± 0.001°
Cell volume	3868.1 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0696
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.0723
Weighted residual factors for all reflections included in the refinement	0.0775
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301838 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure.	4326643.cif
179369	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/66.	4326643.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4326643.cif
49417	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4326643 via cif-deposit CGI script.	4326643.cif