Crystallography Open Database

Information card for entry 7100694

Preview

Coordinates	7100694.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C134 H162 Cl4 N8 O4 Zn2
Calculated formula	C134 H162 Cl4 N8 O4 Zn2
SMILES	c12=C(c3[n]4[Zn]56(n2c(=C(c2ccc(=C(c7n6c(cc7)C(=c4cc3)c3cc(cc(c3)C(C)(C)C)C(C)(C)C)c3cc(cc(c3)C(C)(C)C)C(C)(C)C)[n]52)c2cc(cc(c2)C(C)(C)C)C(C)(C)C)cc1)[OH]C)C#CC#CC1=c2ccc3C(=c4ccc5=C(c6[n]7[Zn]([n]23)(n45)(n2c(C(=c7cc6)c3cc(cc(c3)C(C)(C)C)C(C)(C)C)ccc12)[OH]C)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)c1cc(cc(c1)C(C)(C)C)C(C)(C)C.OC.C(Cl)Cl.OC.C(Cl)Cl
Title of publication	Porphyrin Dimers Bridged by a Platinum-diacetylide Unit
Authors of publication	Chen-Yu Yeh; Yi-Jen Chen; Szu-Shuo Chen; Shang-Shih Lo
Journal of publication	Chemical Communications
Year of publication	2006
a	13.8674 ± 0.0002 Å
b	14.9588 ± 0.0002 Å
c	16.0677 ± 0.0002 Å
α	85.243 ± 0.0008°
β	87.9895 ± 0.0009°
γ	68.935 ± 0.0009°
Cell volume	3099.58 ± 0.07 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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