Crystallography Open Database

Information card for entry 1550510

Preview

Coordinates	1550510.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H42 Si Zr
Calculated formula	C36 H42 Si Zr
SMILES	[c]123[c]4([c]5([c]67[c]1(c(c(c(c6C)C)C)C)[Zr]16893457([c]3([cH]1[cH]6[cH]8[cH]93)[Si]2(C)C)(Cc1ccccc1)Cc1ccccc1)C)C
Title of publication	Group 4 permethylindenyl complexes for slurry-phase polymerisation of ethylene
Authors of publication	Lamb, Jessica V.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot
Journal of publication	Polymer Chemistry
Year of publication	2019
Journal volume	10
Journal issue	11
Pages of publication	1386
a	12.4776 ± 0.0006 Å
b	14.8663 ± 0.0012 Å
c	17.9117 ± 0.0005 Å
α	100.463 ± 0.005°
β	101.218 ± 0.004°
γ	105.208 ± 0.006°
Cell volume	3048.5 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	149.9 ± 0.3 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1746
Residual factor for significantly intense reflections	0.1518
Weighted residual factors for significantly intense reflections	0.3524
Weighted residual factors for all reflections included in the refinement	0.3705
Goodness-of-fit parameter for all reflections included in the refinement	1.484
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
225351 (current)	2019-11-08	cif/ Updating files of 1550506, 1550507, 1550508, 1550509, 1550510 Original log message: Adding full bibliography for 1550506--1550510.cif.	1550510.cif
213250	2019-01-22	cif/ Adding structures of 1550506, 1550507, 1550508, 1550509, 1550510 via cif-deposit CGI script.	1550510.cif