Crystallography Open Database

Information card for entry 7203246

7203245 << 7203246 >> 7203247

Preview

Coordinates	7203246.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C120 H142 O38 Zr6
Calculated formula	C120 H138 O38 Zr6
SMILES	C(=O)(O)[C@H]1[C@H]2C=C[C@@H](C1)C2.[Zr]123456([O]7[Zr]89%10%11%12([O]%13[Zr]%14%15%16%17%18([O]9[Zr]9%19([O]18)([O]3[Zr]13([O]2[Zr]27%13([O]%151)(OC(=[O]2)[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]3)[C@H]1[C@H]2C=C[C@@H](C1)C2)([O]%149)(OC(=[O]%17)[C@@H]1[C@@H]2C=C[C@H](C1)C2)([O]=C(O%19)[C@@H]1[C@@H]2C=C[C@H](C1)C2)OC(=[O]6)[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)(OC(=[O]%11)[C@H]1[C@H]2C=C[C@@H](C1)C2)[O]=C(O%16)[C@@H]1[C@@H]2C=C[C@H](C1)C2)OC(=[O]%12)[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.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	15.1389 ± 0.0006 Å
b	27.919 ± 0.0011 Å
c	28.2235 ± 0.0011 Å
α	90°
β	93.822 ± 0.001°
γ	90°
Cell volume	11902.5 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1472
Residual factor for significantly intense reflections	0.0768
Weighted residual factors for significantly intense reflections	0.1948
Weighted residual factors for all reflections included in the refinement	0.2234
Goodness-of-fit parameter for all reflections included in the refinement	0.965
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.	7203246.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7203246.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7203246.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7203246.cif