Crystallography Open Database

Information card for entry 4100252

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Coordinates	4100252.cif

Structure parameters

Formula	C62 H74 N4 O8 Pd
Calculated formula	C62 H74 N4 O8 Pd
SMILES	[Pd]12(N3Cc4ccc(OCCCCCCCCCCOc5ccc(CN2C(=O)c2[n]1c(C3=O)ccc2)cc5)cc4)[n]1c2COCc3ccc(OCCCCCCCCCCOc4ccc(COCc1ccc2)cc4)cc3
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
a	11.3837 ± 0.0006 Å
b	36.2251 ± 0.0019 Å
c	13.6178 ± 0.0008 Å
α	90°
β	97.838 ± 0.003°
γ	90°
Cell volume	5563.2 ± 0.5 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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