Crystallography Open Database

Information card for entry 4132006

4132005 << 4132006 >> 4132007

Preview

Coordinates	4132006.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H81.6 Cl4 Fe N10 O15.8
Calculated formula	C70 H80 Cl4 Fe N10 O15.8
Title of publication	Rhodamine 6G-Labeled Pyridyl Aroylhydrazone Fe(II) Complex Exhibiting Synergetic Spin Crossover and Fluorescence.
Authors of publication	Yuan, Juan; Wu, Shu-Qi; Liu, Mei-Jiao; Sato, Osamu; Kou, Hui-Zhong
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	30
Pages of publication	9426 - 9433
a	20.3631 ± 0.0004 Å
b	28.602 ± 0.0005 Å
c	12.6388 ± 0.0002 Å
α	90°
β	94.0855 ± 0.0017°
γ	90°
Cell volume	7342.5 ± 0.2 Å³
Cell temperature	170 ± 0.1 K
Ambient diffraction temperature	170 ± 0.1 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	0.0905
Residual factor for significantly intense reflections	0.0785
Weighted residual factors for significantly intense reflections	0.2237
Weighted residual factors for all reflections included in the refinement	0.239
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
242049 (current)	2019-11-25	cif/ Adding structures of 4132006 via cif-deposit CGI script.	4132006.cif