Crystallography Open Database

Information card for entry 4300893

Preview

Coordinates	4300893.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C114 H174 Cl22 N10 O20 P10 Pd10
Calculated formula	C114 H174 Cl22 N10 O20 P10 Pd10
SMILES	c12c3cc(c[n]1[Pd]1(Oc4c([n](cc(c4)Cl)[Pd]4(Oc5[n](cc(cc5O4)Cl)[Pd]4(Oc5c([n](cc(c5)Cl)[Pd]5(Oc6c(cc(c[n]6[Pd]6(Oc7c([n](cc(c7)Cl)[Pd]7(Oc8c([n](cc(c8)Cl)[Pd]8(Oc9[n](cc(cc9O8)Cl)[Pd]8(Oc9c([n](cc(c9)Cl)[Pd]9(Oc%10c(cc(c[n]%10[Pd](O3)(O2)[P](CC)(CC)CC)Cl)O9)[P](CC)(CC)CC)O8)[P](CC)(CC)CC)[P](CC)(CC)CC)O7)[P](CC)(CC)CC)O6)[P](CC)(CC)CC)Cl)O5)[P](CC)(CC)CC)O4)[P](CC)(CC)CC)[P](CC)(CC)CC)O1)[P](CC)(CC)CC)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
Title of publication	Neutral Metallomacrocycles with Four or Ten (PEt3)Pd(II) Centers
Authors of publication	Brasey, Thomas; Scopelliti, Rosario; Severin, Kay
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Journal issue	2
Pages of publication	160 - 162
a	14.7501 ± 0.0015 Å
b	16.9319 ± 0.0017 Å
c	17.478 ± 0.002 Å
α	74.495 ± 0.01°
β	72.735 ± 0.01°
γ	84.043 ± 0.008°
Cell volume	4015.4 ± 0.8 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Duplicate of	4308367
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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