Crystallography Open Database

Information card for entry 7220993

7220992 << 7220993 >> 7220994

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Coordinates	7220993.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H60 Cl2 N2 Zr2
Calculated formula	C42 H60 Cl2 N2 Zr2
SMILES	[cH]12[c]3([c]4([c]5([c]1(C)[Zr]12345(N(c2c(cccc2C(C)C)C(C)C)[Zr]2345([cH]6[c]2([c]3([c]4([c]56C)C)C)C)(N1c1c(cccc1C(C)C)C(C)C)Cl)Cl)C)C)C
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	10.2009 ± 0.0005 Å
b	10.5211 ± 0.0007 Å
c	10.614 ± 0.0007 Å
α	113.719 ± 0.006°
β	103.394 ± 0.005°
γ	98.566 ± 0.005°
Cell volume	976.34 ± 0.12 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	0.0361
Residual factor for significantly intense reflections	0.0274
Weighted residual factors for significantly intense reflections	0.0591
Weighted residual factors for all reflections included in the refinement	0.0635
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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.	7220993.cif