Crystallography Open Database

Information card for entry 4100250

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Coordinates	4100250.cif

Structure parameters

Formula	C62 H74 N4 O8 Pd
Calculated formula	C62 H74 N4 O8 Pd
SMILES	[Pd]123N4Cc5ccc(OCCCCCCCCCCOc6ccc(COCc7[n]3c(COCc3ccc(OCCCCCCCCCCOc8ccc(CN2C(=O)c2[n]1c(C4=O)ccc2)cc8)cc3)ccc7)cc6)cc5
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
a	11.839 ± 0.017 Å
b	17.17 ± 0.02 Å
c	27.07 ± 0.08 Å
α	90°
β	92.689 ± 0.019°
γ	90°
Cell volume	5497 ± 19 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 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
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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