Crystallography Open Database

Information card for entry 4333302

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Structure parameters

Formula	C45 H58 Ag2 Cl2 F12 O6 P2 S4
Calculated formula	C45 H58 Ag2 Cl2 F12 O6 P2 S4
Title of publication	Calix[4]bis(thiacrown): assembly of an endocyclic disilver(I) complex and exocyclic 3D copper(I) coordination polymers.
Authors of publication	Lee, Jai Young; Lee, So Young; Seo, Joobeom; Park, Chul Soon; Go, Jung Nam; Sim, Wonbo; Lee, Shim Sung
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	16
Pages of publication	6221 - 6223
a	19.1679 ± 0.0013 Å
b	13.9594 ± 0.001 Å
c	19.529 ± 0.0014 Å
α	90°
β	90.785 ± 0.001°
γ	90°
Cell volume	5224.9 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1135
Residual factor for significantly intense reflections	0.0846
Weighted residual factors for significantly intense reflections	0.168
Weighted residual factors for all reflections included in the refinement	0.18
Goodness-of-fit parameter for all reflections included in the refinement	1.155
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
301839 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure.	4333302.cif
179436	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 4/33/33.	4333302.cif
116739	2014-06-13	cif/ Updating files of 4333302, 4333303, 4333304 Original log message: Adding full bibliography for 4333302--4333304.cif.	4333302.cif
98917	2014-01-30	cif/ Adding structures of 4333302 via cif-deposit CGI script.	4333302.cif