Crystallography Open Database

Information card for entry 7220998

7220997 << 7220998 >> 7220999

Preview

Coordinates	7220998.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H54 Cl2 N4 Zr2
Calculated formula	C38 H54 Cl2 N4 Zr2
SMILES	C(N(C)C)c1c(cccc1)N1[Zr]2345([c]6([c]4([c]5([c]2([c]36C)C)C)C)C)(Cl)N(c2c(cccc2)CN(C)C)[Zr]23451([c]1([c]2([c]3([c]4([c]51C)C)C)C)C)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	9.3661 ± 0.0007 Å
b	10.402 ± 0.0008 Å
c	11.5359 ± 0.0007 Å
α	111.082 ± 0.004°
β	103.324 ± 0.005°
γ	105.615 ± 0.005°
Cell volume	940.6 ± 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	0.0404
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.0707
Weighted residual factors for all reflections included in the refinement	0.0755
Goodness-of-fit parameter for all reflections included in the refinement	1.106
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.	7220998.cif