Crystallography Open Database

Information card for entry 4089455

Preview

Coordinates	4089455.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Ph4Cp2ZrCl2
Chemical name	bis tetraphenylCp Zirconocene
Formula	C124 H99 Cl7 Zr2
Calculated formula	C124 H99 Cl7 Zr2
Title of publication	Simple Polyphenyl Zirconium and Hafnium Metallocene Room-Temperature Lumophores for Cell Imaging
Authors of publication	Pritchard, Victoria E.; Thorp-Greenwood, Flora L.; Balasingham, Rebeca G.; Williams, Catrin F.; Kariuki, Benson M.; Platts, James A.; Hallett, Andrew J.; Coogan, Michael P.
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	12
Pages of publication	3566
a	22.398 Å
b	12.412 Å
c	38.241 Å
α	90°
β	106.45°
γ	90°
Cell volume	10196 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1839
Residual factor for significantly intense reflections	0.093
Weighted residual factors for significantly intense reflections	0.2201
Weighted residual factors for all reflections included in the refinement	0.2635
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
243648 (current)	2019-11-26	cif/ Adding structures of 4089455, 4089456 via cif-deposit CGI script.	4089455.cif