Crystallography Open Database

Information card for entry 4089456

Preview

Coordinates	4089456.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59.35 H43.35 Cl6.05 Hf
Calculated formula	C59.35 H43.35 Cl6.05 Hf
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	22.486 ± 0.0006 Å
b	12.492 ± 0.0003 Å
c	38.2299 ± 0.0008 Å
α	90°
β	106.285 ± 0.001°
γ	90°
Cell volume	10307.7 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.1376
Residual factor for significantly intense reflections	0.0714
Weighted residual factors for significantly intense reflections	0.1307
Weighted residual factors for all reflections included in the refinement	0.1533
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4089456.cif