Crystallography Open Database

Information card for entry 7220995

7220994 << 7220995 >> 7220996

Preview

Coordinates	7220995.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H60 Cl2 Hf2 N2
Calculated formula	C42 H60 Cl2 Hf2 N2
SMILES	c1(c(cccc1C(C)C)C(C)C)N1[Hf]2345([cH]6[c]2([c]3([c]4([c]56C)C)C)C)(N(c2c(cccc2C(C)C)C(C)C)[Hf]23451([cH]1[c]2([c]3([c]4([c]51C)C)C)C)Cl)Cl
Title of publication	Mixed Amido-cyclopentadienyl Group 4 Metal Complexes
Authors of publication	Havlik, Ales; Lamač, Martin; Pinkas, Jiri; Růžička, Aleš; Horacek, Michal
Journal of publication	RSC Adv.
Year of publication	2015
a	10.1859 ± 0.0005 Å
b	10.5241 ± 0.0009 Å
c	10.612 ± 0.0007 Å
α	113.815 ± 0.005°
β	103.68 ± 0.004°
γ	98.356 ± 0.005°
Cell volume	973.38 ± 0.13 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0293
Residual factor for significantly intense reflections	0.026
Weighted residual factors for significantly intense reflections	0.0632
Weighted residual factors for all reflections included in the refinement	0.0651
Goodness-of-fit parameter for all reflections included in the refinement	1.096
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
139946 (current)	2015-07-03	cif/ Adding structures of 7220986, 7220987, 7220988, 7220989, 7220990, 7220991, 7220992, 7220993, 7220994, 7220995, 7220996, 7220997, 7220998, 7220999, 7221000 via cif-deposit CGI script.	7220995.cif