Crystallography Open Database

Information card for entry 4076656

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Structure parameters

Formula	C43 H35 Br2 Cl3 O4
Calculated formula	C43 H35 Br2 Cl3 O4
SMILES	Brc1cc2c(O)c(c1)Cc1c(OCc3ccccc3)c(Cc3c(O)c(Cc4c(OCc5ccccc5)c(C2)ccc4)cc(Br)c3)ccc1.ClC(Cl)Cl
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	11.6883 ± 0.0009 Å
b	16.093 ± 0.002 Å
c	11.431 ± 0.001 Å
α	90.831 ± 0.004°
β	117.98 ± 0.005°
γ	103.07 ± 0.003°
Cell volume	1831.4 ± 0.3 Å³
Cell temperature	126.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.04
Weighted residual factors for all reflections included in the refinement	0.052
Goodness-of-fit parameter for all reflections included in the refinement	1.211
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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