Crystallography Open Database

Information card for entry 7203247

7203246 << 7203247 >> 7203248

Preview

Coordinates	7203247.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C124 H152 O39 Zr6
Calculated formula	C124 H147 O39 Zr6
SMILES	[Zr]123456([O]7[Zr]89%10%11%12([O]%13[Zr]%14%15%16%177([O]3[Zr]37%18%19([O]%20[Zr]([O]18)([O]23)([O]9[Zr]%13%20([O]%147)([O]=C(O%11)[C@@H]1[C@H]2C=C[C@@H](C1)C2)([OH]CCCC)(OC(=[O]%19)[C@H]1[C@@H]2C=C[C@H](C1)C2)[O]=C(O%17)[C@H]1[C@@H]2C=C[C@H](C1)C2)([O]=C(O%12)[C@@H]1[C@H]2C=C[C@@H](C1)C2)(OC(=[O]5)[C@H]1[C@@H]2C=C[C@H](C1)C2)([O]=C(O%18)[C@@H]1[C@H]2C=C[C@@H](C1)C2)OC(=O)[C@@H]1[C@H]2C=C[C@@H](C1)C2)([O]=C(O6)[C@@H]1[C@H]2C=C[C@@H](C1)C2)OC(=[O]%16)[C@@H]1[C@H]2C=C[C@@H](C1)C2)[O]=C(O%15)[C@@H]1[C@H]2C=C[C@@H](C1)C2)[O]=C(O%10)[C@@H]1[C@H]2C=C[C@@H](C1)C2)[O]=C(O4)[C@H]1[C@@H]2C=C[C@H](C1)C2.OC(=O)[C@H]1[C@@H]2C=C[C@H](C1)C2.OC(=O)[C@@H]1[C@H]2C=C[C@@H](C1)C2.O=C(O)[C@@H]1[C@H]2C=C[C@@H](C1)C2
Title of publication	Ring-opening metathesis polymerizations with norbornene carboxylate-substituted metal oxo clusters
Authors of publication	Yu Gao; Franz René Kogler; Herwig Peterlik; Ulrich Schubert
Journal of publication	Journal of Materials Chemistry
Year of publication	2006
Journal volume	16
Journal issue	32
Pages of publication	3268
a	15.621 ± 0.004 Å
b	15.641 ± 0.004 Å
c	30.8 ± 0.008 Å
α	99.36 ± 0.006°
β	95.793 ± 0.005°
γ	113.343 ± 0.005°
Cell volume	6703 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 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	0.193
Residual factor for significantly intense reflections	0.0975
Weighted residual factors for significantly intense reflections	0.2308
Weighted residual factors for all reflections included in the refinement	0.2728
Goodness-of-fit parameter for all reflections included in the refinement	0.927
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
180363 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/32.	7203247.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7203247.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7203247.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7203247.cif