Crystallography Open Database

Information card for entry 7044988

Preview

Coordinates	7044988.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H33 Fe N3 O2 S2
Calculated formula	C32 H33 Fe N3 O2 S2
SMILES	[Fe]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[c]7([cH]81)CSC(=S)N1CCN(c2c3c4c(cc2)C(=O)N(C(=O)c4ccc3)CCCC)CC1
Title of publication	A novel ferrocenyl-naphthalimide as a multichannel probe for the detection of Cu(ii) and Hg(ii) in aqueous media and living cells.
Authors of publication	Dong, Junyang; Hu, Jianfeng; Baigude, Huricha; Zhang, Hao
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	2
Pages of publication	314 - 322
a	14.9241 ± 0.0019 Å
b	15.1194 ± 0.0019 Å
c	13.5614 ± 0.0017 Å
α	90°
β	110.093 ± 0.002°
γ	90°
Cell volume	2873.8 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.1145
Residual factor for significantly intense reflections	0.0674
Weighted residual factors for significantly intense reflections	0.1622
Weighted residual factors for all reflections included in the refinement	0.1928
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
229561 (current)	2019-11-17	cif/ Updating files of 7044988 Original log message: Adding full bibliography for 7044988.cif.	7044988.cif
204063	2017-12-08	cif/ Adding structures of 7044988 via cif-deposit CGI script.	7044988.cif