Crystallography Open Database

Information card for entry 4329189

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Structure parameters

Formula	C12 H11 S
Calculated formula	C12 H11 S
Title of publication	Nickel(II)-Induced Excimer Formation of a Naphthalene-Based Fluorescent Probe for Living Cell Imaging
Authors of publication	Arnab Banerjee; Animesh Sahana; Subarna Guha; Sisir Lohar; Ipsit Hauli; Subhra Kanti Mukhopadhyay; Jesús Sanmartín Matalobos; Debasis Das
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	5699 - 5704
a	17.962 ± 0.005 Å
b	5.784 ± 0.005 Å
c	9.076 ± 0.005 Å
α	90 ± 0.005°
β	97.512 ± 0.005°
γ	90 ± 0.005°
Cell volume	934.8 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0698
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for significantly intense reflections	0.1089
Weighted residual factors for all reflections included in the refinement	0.1144
Goodness-of-fit parameter for all reflections included in the refinement	1.22
Diffraction radiation wavelength	0.71069 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.	4329189.cif
179394	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 4/32/91.	4329189.cif
78229	2013-04-01	cif/ Adding structures of 4329189 via cif-deposit CGI script.	4329189.cif