Crystallography Open Database

Information card for entry 4076657

Preview

Coordinates	4076657.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H46 Br2 O4
Calculated formula	C56 H46 Br2 O4
SMILES	Brc1cc2c(OCc3ccccc3)c(c1)Cc1c(OCc3ccccc3)c(Cc3c(OCc4ccccc4)c(Cc4c(OCc5ccccc5)c(C2)ccc4)cc(Br)c3)ccc1
Title of publication	Platinum(II) and Palladium(II) Complexes of Bis(diphenylphosphino)calix[4]arene Tetrabenzyl Ether: Fluxional Behavior Caused by Two Motions
Authors of publication	Takenaka, Kazuhiro; Obora, Yasushi; Jiang, Li Hong; Tsuji, Yasushi
Journal of publication	Organometallics
Year of publication	2002
Journal volume	21
Journal issue	6
Pages of publication	1158
a	18.268 ± 0.001 Å
b	22.922 ± 0.001 Å
c	11.3725 ± 0.0007 Å
α	104.169 ± 0.002°
β	105.868 ± 0.001°
γ	87.551 ± 0.002°
Cell volume	4439.8 ± 0.4 Å³
Cell temperature	126.1 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 significantly intense reflections	0.08
Weighted residual factors for all reflections included in the refinement	0.126
Goodness-of-fit parameter for all reflections included in the refinement	1.141
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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