Crystallography Open Database

Information card for entry 4085627

Preview

Coordinates	4085627.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H19 Fe N3 O2
Calculated formula	C21 H19 Fe N3 O2
SMILES	[cH]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[c]82Cn1cc(COc2c(cccc2)C=O)nn1
Title of publication	Ferrocene and Triazole-Appended Rhodamine Based Multisignaling Sensors for Hg2+and Their Application in Live Cell Imaging
Authors of publication	Arivazhagan, C.; Borthakur, Rosmita; Ghosh, Sundargopal
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	7
Pages of publication	1147
a	13.6719 ± 0.0004 Å
b	7.7217 ± 0.0002 Å
c	34.574 ± 0.002 Å
α	90°
β	97.375 ± 0.004°
γ	90°
Cell volume	3619.8 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0497
Residual factor for significantly intense reflections	0.0456
Weighted residual factors for significantly intense reflections	0.1106
Weighted residual factors for all reflections included in the refinement	0.1132
Goodness-of-fit parameter for all reflections included in the refinement	1.126
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178745 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/56.	4085627.cif
138294	2015-06-05	cif/ Updating files of 4085627 Original log message: Adding full bibliography for 4085627.cif.	4085627.cif
134219	2015-03-21	cif/ Adding structures of 4085627 via cif-deposit CGI script.	4085627.cif