Crystallography Open Database

Information card for entry 7251682

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Coordinates	7251682.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H36 Mn N6 O7
Calculated formula	C44 H36 Mn N6 O7
Title of publication	Luminescence property modulation through structural modification of coordination polymers for ratiometric detection of mercuric ions in aqueous media
Authors of publication	Kumar, Rakesh; Maiti, Anupam; Mahato, Bidyadhar; Ghoshal, Debajyoti
Journal of publication	CrystEngComm
Year of publication	2026
a	7.5222 ± 0.0003 Å
b	10.5057 ± 0.0005 Å
c	13.4534 ± 0.0006 Å
α	105.481 ± 0.001°
β	104.538 ± 0.001°
γ	93.879 ± 0.001°
Cell volume	981.4 ± 0.08 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0846
Residual factor for significantly intense reflections	0.0698
Weighted residual factors for significantly intense reflections	0.1272
Weighted residual factors for all reflections included in the refinement	0.1318
Goodness-of-fit parameter for all reflections included in the refinement	1.259
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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