Crystallography Open Database

Information card for entry 1513285

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Structure parameters

Formula	C32 H30 B Cl2 Rh
Calculated formula	C32 H30 B Cl2 Rh
SMILES	[Rh]12345678([c]9([cH]1[cH]2[cH]3[cH]4[cH]59)[B](c1ccccc1)(c1ccccc1)c1ccccc1)[CH]1=[CH]6C2[CH]7=[CH]8C1C2.ClCCl
Title of publication	Polymerization of Phenylacetylenes with Rhodium Zwitterionic Complexes: Enhanced Catalytic Activity by π-Acidic Diene Ligands
Authors of publication	Onishi, Naoya; Shiotsuki, Masashi; Sanda, Fumio; Masuda, Toshio
Journal of publication	Macromolecules
Year of publication	2009
Journal volume	42
Journal issue	12
Pages of publication	4071
a	10.3734 ± 0.0008 Å
b	9.5048 ± 0.0007 Å
c	27.27 ± 0.003 Å
α	90°
β	93.498 ± 0.005°
γ	90°
Cell volume	2683.7 ± 0.4 Å³
Cell temperature	143.15 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0732
Weighted residual factors for all reflections included in the refinement	0.0798
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301776 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure.	1513285.cif
176435	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1513285.cif
99206	2014-01-30	cif/ Adding structures of 1513285 via cif-deposit CGI script.	1513285.cif