Crystallography Open Database

Information card for entry 4327580

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Structure parameters

Formula	C88 H58 Ag4 Cl4 O16
Calculated formula	C88 H58 Ag4 Cl4 O16
SMILES	[cH]12[cH]3c4c5ccccc5c5c[cH]([Ag]67([O]=Cl(O[Ag]89([cH]%10cc%11ccc%12c[cH]([Ag]%13%14([O]=Cl(O[Ag]13([O]%13Cl(=O)(=O)=O)[cH]1cc([cH]8cc1C)C)(=O)=O)[cH]1[cH]%14cc3c8ccccc8c8cccc%13ccc1c3c8%13)cc1c3c(c([cH]9%10)c%11c1%12)cccc3)[O]6[Cl](=O)(=O)=O)(=O)=O)[cH]1[cH]7cc3c6ccccc6c6cccc7ccc1c3c67)cc1ccc(c4c51)c2
Title of publication	Spiral, Herringbone, and Triple-Decker Silver(I) Complexes of Benzopyrene Derivatives Assembled through η2-Coordination
Authors of publication	Jian Chu Zhong; Megumu Munakata; Takayoshi Kuroda-Sowa; Masahiko Maekawa; Yusaku Suenaga; Hisashi Konaka
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	3191 - 3199
a	11.8376 ± 0.0007 Å
b	12.547 ± 0.001 Å
c	13.151 ± 0.002 Å
α	91.438 ± 0.002°
β	103.947 ± 0.001°
γ	109.705 ± 0.0009°
Cell volume	1772.5 ± 0.3 Å³
Cell temperature	296.2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for all reflections included in the refinement	0.1117
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	4327580.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4327580.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327580.cif
61402	2012-07-04	cif/ Adding structures of 4327580 via cif-deposit CGI script.	4327580.cif