Crystallography Open Database

Information card for entry 1577419

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Coordinates	1577419.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C189 H118 Cl10 N36 O5
Calculated formula	C189 H118 Cl10 N36 O5
Title of publication	Enhanced and Selective Oxygen Reduction by Iron porphyrin with a Biguanidine Residue in the Second Coordination Sphere
Authors of publication	Patra, Suman; Ghosh, Soumili; Samanta, Soumya; Maurya, Nisha; Das, Somnath; Dey, Abhishek
Journal of publication	Chemical Science
Year of publication	2026
a	33.0493 ± 0.0012 Å
b	18.1817 ± 0.0006 Å
c	57.8908 ± 0.0019 Å
α	90°
β	96.052 ± 0.001°
γ	90°
Cell volume	34592 ± 2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.186
Residual factor for significantly intense reflections	0.0989
Weighted residual factors for significantly intense reflections	0.2657
Weighted residual factors for all reflections included in the refinement	0.3292
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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